research papers
Investigations of new single crystals grown in the K3H(SO4)2–(NH4)3H(SO4)2–H2O system from solutions with different K:NH4 concentration ratios have been carried out. Based on the X-ray diffraction data, the atomic structure of the crystals was determined at room temperature taking H atoms into account. It has been determined that [K0.43(NH4)0.57]3H(SO4)2 crystals are trigonal at ambient conditions such as the superprotonic phase of (NH4)3H(SO4)2 at high temperature. A distribution of the K and N atoms in the crystal was modelled on the basis of the refined occupancies of K/N positions. Studies of dielectric properties over the temperature range 223–353 K revealed high values of conductivity of the crystals comparable with the conductivity of known superprotonic compounds at high temperatures, and an anomaly corresponding to a transition to the phase with low conductivity upon cooling.
Keywords: single crystals; X-ray analysis; crystal structure; hydrogen bonds; superprotonic phase transitions; structural conditionality; conductivity.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520617012847/bp5100sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520617012847/bp5100Isup2.hkl |
CCDC reference: 1573140
Computing details top
(I) top
Crystal data top
H7.84K1.29N1.71O8S2 | F(000) = 421 |
Mr = 274.40 | Dx = 2.140 Mg m−3 |
Trigonal, R3 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -R 3 | Cell parameters from 3221 reflections |
a = 5.7768 (3) Å | θ = 4.5–32.7° |
c = 22.0983 (12) Å | µ = 1.28 mm−1 |
V = 638.65 (8) Å3 | T = 293 K |
Z = 3 | 0.20 × 0.17 × 0.15 mm |
Data collection top
Xcalibur, Sapphire3 with high theta cut diffractometer | 533 independent reflections |
Radiation source: X-ray tube | 490 reflections with I > 3σ(I) |
Graphite monochromator | Rint = 0.018 |
Detector resolution: 16.0628 pixels mm-1 | θmax = 33.0°, θmin = 4.5° |
ω scans | h = −8→8 |
Absorption correction: multi-scan CrysAlisPro, Agilent Technologies, Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET) (compiled Jan 14 2014,18:38:05) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. | k = −8→8 |
Tmin = 0.935, Tmax = 1 | l = −32→33 |
4750 measured reflections |
Refinement top
Refinement on F | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.027 | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
wR(F2) = 0.038 | (Δ/σ)max = 0.057 |
S = 2.46 | Δρmax = 0.18 e Å−3 |
490 reflections | Δρmin = −0.30 e Å−3 |
47 parameters | Extinction correction: B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974) |
0 restraints | Extinction coefficient: 900 (400) |
0 constraints |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
K1 | 0 | 0 | 0 | 0.0386 (2) | 0.8 |
N1 | 0 | 0 | 0 | 0.0386* | 0.2 |
K2 | 0 | 0 | 0.20082 (8) | 0.0460 (6) | 0.25 |
N2 | 0 | 0 | 0.20082 | 0.0429* | 0.75 |
S1 | 0 | 0 | 0.40761 (2) | 0.03572 (19) | |
O1 | 0 | 0 | 0.33983 (12) | 0.0865 (14) | |
O2 | 0.1371 (2) | −0.1367 (3) | 0.57250 (6) | 0.0538 (7) | |
H1 | 0.5 | 0 | 0 | 0.0826* | 0.3333 |
H2 | 0.086811 | 0.170931 | 0.206662 | 0.0894* | 0.75 |
H3 | 0 | 0 | 0.152414 | 0.0897* | 0.75 |
H4 | 0.072195 | 0.147319 | 0.019289 | 0.0645* | 0.1 |
H5 | 0 | 0 | −0.058976 | 0.0691* | 0.1 |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
K1 | 0.0427 (3) | 0.0427 (3) | 0.0304 (4) | 0.02137 (15) | 0 | 0 |
K2 | 0.0404 (6) | 0.0404 (6) | 0.0572 (13) | 0.0202 (3) | 0 | 0 |
S1 | 0.0363 (2) | 0.0363 (2) | 0.0346 (3) | 0.01814 (12) | 0 | 0 |
O1 | 0.115 (2) | 0.115 (2) | 0.0304 (9) | 0.0573 (10) | 0 | 0 |
O2 | 0.0544 (8) | 0.0551 (10) | 0.0715 (9) | 0.0421 (8) | −0.0001 (5) | 0.0004 (5) |
Geometric parameters (Å, º) top
K1—N1 | 0 | N2—O2xxiii | 3.0268 (19) |
K1—O1i | 3.3383 (6) | N2—O2xxiv | 3.0246 (17) |
K1—O1ii | 3.3383 (3) | N2—H2 | 0.8653 (2) |
K1—O1iii | 3.3383 (7) | N2—H2xv | 0.8653 (1) |
K1—O1iv | 3.3383 (7) | N2—H2xvi | 0.8653 (1) |
K1—O1v | 3.3383 (3) | N2—H3 | 1.0666 (1) |
K1—O1vi | 3.3383 (6) | S1—O1 | 1.498 (3) |
K1—O2vii | 2.8626 (16) | S1—O2xxv | 1.4383 (18) |
K1—O2viii | 2.8626 (16) | S1—O2xxvi | 1.4383 (18) |
K1—O2ix | 2.8626 (16) | S1—O2xxvii | 1.4383 (18) |
K1—O2x | 2.8626 (16) | S1—H1xxviii | 2.3398 (4) |
K1—O2xi | 2.8626 (16) | S1—H1xxix | 2.3398 (4) |
K1—O2xii | 2.8626 (16) | S1—H1xxx | 2.3398 (4) |
K1—H1xiii | 2.8884 (3) | S1—H2xxxi | 2.7371 (5) |
K1—H1 | 2.8884 (3) | S1—H2xxxii | 2.7371 (4) |
K1—H1xiv | 2.8884 (4) | S1—H2xxxiii | 2.7371 (3) |
K1—H1xv | 2.8884 (4) | S1—H4xxxiv | 2.8683 (5) |
K1—H1xvi | 2.8884 (6) | S1—H4xxxv | 2.8683 (5) |
K1—H1xvii | 2.8884 (6) | S1—H4xxxvi | 2.8683 (3) |
K1—H4 | 0.8514 (1) | O1—O1xxxvii | 3.3476 (7) |
K1—H4xv | 0.8514 (1) | O1—O1x | 3.3476 (4) |
K1—H4xvi | 0.8514 (1) | O1—O1xxxi | 3.3476 (8) |
K1—H4xviii | 0.8514 (1) | O1—O2xxv | 2.373 (3) |
K1—H4xix | 0.8514 (1) | O1—O2xxvi | 2.373 (3) |
K1—H4xx | 0.8514 (1) | O1—O2xxvii | 2.373 (3) |
K1—H5 | 1.3033 (1) | O2—O2xv | 2.372 (3) |
K1—H5xviii | 1.3033 (1) | O2—O2xvi | 2.372 (3) |
N1—O1i | 3.3383 (6) | H1—H1xiv | 2.8884 (6) |
N1—O1ii | 3.3383 (3) | H1—H1xxxviii | 2.8884 (6) |
N1—O1iii | 3.3383 (7) | H1—H1xxxix | 2.8884 (4) |
N1—O1iv | 3.3383 (7) | H1—H1xvii | 2.8884 (4) |
N1—O1v | 3.3383 (3) | H1—H2ii | 2.9148 (3) |
N1—O1vi | 3.3383 (6) | H1—H2vi | 2.9148 (3) |
N1—O2vii | 2.8626 (16) | H1—H4 | 3.0194 (2) |
N1—O2viii | 2.8626 (16) | H1—H4xl | 3.0032 (4) |
N1—O2ix | 2.8626 (16) | H1—H4xxxviii | 2.3249 (2) |
N1—O2x | 2.8626 (16) | H1—H4xvi | 2.3143 (3) |
N1—O2xi | 2.8626 (16) | H1—H4xviii | 3.0032 (4) |
N1—O2xii | 2.8626 (16) | H1—H4xli | 3.0194 (2) |
N1—H4 | 0.8514 (1) | H1—H4xix | 2.3249 (2) |
N1—H4xv | 0.8514 (1) | H1—H4xlii | 2.3143 (3) |
N1—H4xvi | 0.8514 (1) | H1—H5 | 3.1688 (3) |
N1—H4xviii | 0.8514 (1) | H1—H5xl | 3.1688 (3) |
N1—H4xix | 0.8514 (1) | H1—H5xviii | 3.1688 (3) |
N1—H4xx | 0.8514 (1) | H1—H5xli | 3.1688 (3) |
K2—O1 | 3.072 (3) | H2—H2xv | 1.4812 (3) |
K2—O2i | 3.0238 (13) | H2—H2xvi | 1.4812 (2) |
K2—O2iii | 3.0260 (14) | H2—H2xliii | 3.0456 (2) |
K2—O2xxi | 3.0260 (18) | H2—H2xliv | 3.0456 (4) |
K2—O2xxii | 3.024 (2) | H2—H3 | 1.4726 (1) |
K2—O2xxiii | 3.0260 (19) | H2—H3v | 3.0613 (2) |
K2—O2xxiv | 3.0238 (18) | H2—H3vi | 3.0466 (4) |
K2—O2x | 3.069 (2) | H2—H5xlv | 3.3460 (4) |
K2—O2xi | 3.069 (2) | H3—H4 | 3.0328 (3) |
K2—O2xii | 3.069 (2) | H3—H4xv | 3.0328 (3) |
K2—H2 | 0.8649 (3) | H3—H4xvi | 3.0328 (3) |
K2—H2xv | 0.8649 (3) | H3—H5xviii | 2.0648 (2) |
K2—H2xvi | 0.8649 (3) | H4—H4xv | 1.2766 (3) |
K2—H3 | 1.0696 (18) | H4—H4xvi | 1.2766 (2) |
K2—H5xviii | 3.1344 (19) | H4—H4xviii | 1.7029 (3) |
N2—O1 | 3.075 (3) | H4—H4xix | 1.1270 (1) |
N2—O2i | 3.0246 (12) | H4—H4xx | 1.1270 (1) |
N2—O2iii | 3.0268 (13) | H4—H5 | 1.8800 (2) |
N2—O2xxi | 3.0268 (17) | H4—H5xviii | 1.1456 (1) |
N2—O2xxii | 3.0246 (19) | H5—H5xviii | 2.6065 (3) |
N1—K1—O1i | 0 | K2xlv—O2—H2xxxiii | 72.64 (4) |
N1—K1—O1ii | 0 | K2xlv—O2—H3x | 76.38 (4) |
N1—K1—O1iii | 0 | K2xlv—O2—H4xlviii | 88.90 (4) |
N1—K1—O1iv | 0 | K2xlv—O2—H4l | 112.37 (5) |
N1—K1—O1v | 0 | K2xlv—O2—H4x | 106.61 (5) |
N1—K1—O1vi | 0 | K2xlv—O2—H4lii | 82.58 (4) |
N1—K1—O2vii | 0 | K2xlv—O2—H4xxxiii | 99.83 (5) |
N1—K1—O2viii | 0 | K2xlv—O2—H5xlviii | 90.68 (5) |
N1—K1—O2ix | 0 | K2x—O2—N2x | 0.0 (5) |
N1—K1—O2x | 0 | K2x—O2—S1xxv | 147.63 (9) |
N1—K1—O2xi | 0 | K2x—O2—O1xxv | 175.42 (8) |
N1—K1—O2xii | 0 | K2x—O2—O2xv | 123.72 (6) |
N1—K1—H1xiii | 0 | K2x—O2—O2xvi | 123.66 (6) |
N1—K1—H1 | 0 | K2x—O2—H1xlix | 138.54 (6) |
N1—K1—H1xiv | 0 | K2x—O2—H1l | 138.60 (5) |
N1—K1—H1xv | 0 | K2x—O2—H2xxxiv | 77.93 (4) |
N1—K1—H1xvi | 0 | K2x—O2—H2xxxv | 78.22 (4) |
N1—K1—H1xvii | 0 | K2x—O2—H2li | 66.20 (3) |
N1—K1—H4 | 0 | K2x—O2—H2xxx | 66.11 (3) |
N1—K1—H4xv | 0 | K2x—O2—H2xxxiii | 15.76 (2) |
N1—K1—H4xvi | 0 | K2x—O2—H3x | 16.95 (2) |
N1—K1—H4xviii | 0 | K2x—O2—H4xlviii | 107.39 (6) |
N1—K1—H4xix | 0 | K2x—O2—H4l | 107.14 (6) |
N1—K1—H4xx | 0 | K2x—O2—H4x | 85.52 (5) |
N1—K1—H5 | 0 | K2x—O2—H4lii | 85.70 (5) |
N1—K1—H5xviii | 0 | K2x—O2—H4xxxiii | 103.57 (7) |
O1i—K1—O1ii | 119.817 (9) | K2x—O2—H5xlviii | 71.75 (5) |
O1i—K1—O1iii | 119.817 (9) | N2xxxiv—O2—S1xxv | 100.31 (6) |
O1i—K1—O1iv | 60.183 (9) | N2xxxiv—O2—O1xxv | 106.61 (4) |
O1i—K1—O1v | 60.183 (9) | N2xxxiv—O2—O2xv | 124.19 (7) |
O1i—K1—O1vi | 180.0 (5) | N2xxxiv—O2—O2xvi | 66.87 (4) |
O1i—K1—O2vii | 71.85 (4) | N2xxxiv—O2—H1xlix | 73.34 (3) |
O1i—K1—O2viii | 71.81 (5) | N2xxxiv—O2—H1l | 141.13 (5) |
O1i—K1—O2ix | 135.83 (6) | N2xxxiv—O2—H2xxxiv | 9.008 (13) |
O1i—K1—O2x | 108.15 (4) | N2xxxiv—O2—H2xxxv | 145.17 (6) |
O1i—K1—O2xi | 108.19 (5) | N2xxxiv—O2—H2li | 15.657 (8) |
O1i—K1—O2xii | 44.17 (6) | N2xxxiv—O2—H2xxx | 139.84 (6) |
O1i—K1—H1xiii | 30.092 (6) | N2xxxiv—O2—H2xxxiii | 72.88 (3) |
O1i—K1—H1 | 149.908 (6) | N2xxxiv—O2—H3x | 76.30 (4) |
O1i—K1—H1xiv | 90.000 (8) | N2xxxiv—O2—H4xlviii | 112.30 (5) |
O1i—K1—H1xv | 90.000 (8) | N2xxxiv—O2—H4l | 88.72 (4) |
O1i—K1—H1xvi | 30.092 (6) | N2xxxiv—O2—H4x | 82.72 (4) |
O1i—K1—H1xvii | 149.908 (6) | N2xxxiv—O2—H4lii | 106.84 (5) |
O1i—K1—H4 | 113.72 (3) | N2xxxiv—O2—H4xxxiii | 99.35 (5) |
O1i—K1—H4xv | 27.58 (5) | N2xxxiv—O2—H5xlviii | 90.64 (5) |
O1i—K1—H4xvi | 114.80 (3) | N2xlv—O2—S1xxv | 100.40 (6) |
O1i—K1—H4xviii | 66.28 (3) | N2xlv—O2—O1xxv | 106.68 (4) |
O1i—K1—H4xix | 152.42 (5) | N2xlv—O2—O2xv | 66.97 (4) |
O1i—K1—H4xx | 65.20 (3) | N2xlv—O2—O2xvi | 124.28 (7) |
O1i—K1—H5 | 92.46 (5) | N2xlv—O2—H1xlix | 141.18 (5) |
O1i—K1—H5xviii | 87.54 (5) | N2xlv—O2—H1l | 73.40 (3) |
O1ii—K1—O1iii | 119.817 (8) | N2xlv—O2—H2xxxiv | 145.09 (6) |
O1ii—K1—O1iv | 60.183 (8) | N2xlv—O2—H2xxxv | 9.323 (12) |
O1ii—K1—O1v | 180.0 (5) | N2xlv—O2—H2li | 139.96 (6) |
O1ii—K1—O1vi | 60.183 (9) | N2xlv—O2—H2xxx | 15.753 (8) |
O1ii—K1—O2vii | 135.83 (6) | N2xlv—O2—H2xxxiii | 72.59 (3) |
O1ii—K1—O2viii | 71.85 (5) | N2xlv—O2—H3x | 76.35 (4) |
O1ii—K1—O2ix | 71.81 (5) | N2xlv—O2—H4xlviii | 88.95 (3) |
O1ii—K1—O2x | 44.17 (6) | N2xlv—O2—H4l | 112.41 (4) |
O1ii—K1—O2xi | 108.15 (5) | N2xlv—O2—H4x | 106.64 (5) |
O1ii—K1—O2xii | 108.19 (5) | N2xlv—O2—H4lii | 82.61 (3) |
O1ii—K1—H1xiii | 149.908 (7) | N2xlv—O2—H4xxxiii | 99.87 (5) |
O1ii—K1—H1 | 30.092 (7) | N2xlv—O2—H5xlviii | 90.70 (4) |
O1ii—K1—H1xiv | 30.092 (6) | N2x—O2—S1xxv | 147.66 (9) |
O1ii—K1—H1xv | 149.908 (6) | N2x—O2—O1xxv | 175.39 (8) |
O1ii—K1—H1xvi | 90.000 (7) | N2x—O2—O2xv | 123.75 (6) |
O1ii—K1—H1xvii | 90.000 (7) | N2x—O2—O2xvi | 123.69 (6) |
O1ii—K1—H4 | 114.80 (3) | N2x—O2—H1xlix | 138.52 (6) |
O1ii—K1—H4xv | 113.72 (3) | N2x—O2—H1l | 138.59 (5) |
O1ii—K1—H4xvi | 27.58 (5) | N2x—O2—H2xxxiv | 77.94 (4) |
O1ii—K1—H4xviii | 65.20 (3) | N2x—O2—H2xxxv | 78.23 (4) |
O1ii—K1—H4xix | 66.28 (3) | N2x—O2—H2li | 66.19 (3) |
O1ii—K1—H4xx | 152.42 (5) | N2x—O2—H2xxx | 66.11 (3) |
O1ii—K1—H5 | 92.46 (5) | N2x—O2—H2xxxiii | 15.794 (10) |
O1ii—K1—H5xviii | 87.54 (5) | N2x—O2—H3x | 16.916 (12) |
O1iii—K1—O1iv | 180.0 (5) | N2x—O2—H4xlviii | 107.35 (5) |
O1iii—K1—O1v | 60.183 (8) | N2x—O2—H4l | 107.10 (5) |
O1iii—K1—O1vi | 60.183 (9) | N2x—O2—H4x | 85.48 (5) |
O1iii—K1—O2vii | 71.81 (4) | N2x—O2—H4lii | 85.66 (5) |
O1iii—K1—O2viii | 135.83 (6) | N2x—O2—H4xxxiii | 103.54 (7) |
O1iii—K1—O2ix | 71.85 (5) | N2x—O2—H5xlviii | 71.72 (5) |
O1iii—K1—O2x | 108.19 (4) | S1xxv—O2—O1xxv | 36.95 (6) |
O1iii—K1—O2xi | 44.17 (6) | S1xxv—O2—O2xv | 34.45 (5) |
O1iii—K1—O2xii | 108.15 (5) | S1xxv—O2—O2xvi | 34.45 (5) |
O1iii—K1—H1xiii | 90.000 (7) | S1xxv—O2—H1xlix | 63.71 (5) |
O1iii—K1—H1 | 90.000 (7) | S1xxv—O2—H1l | 63.75 (5) |
O1iii—K1—H1xiv | 149.908 (6) | S1xxv—O2—H2xxxiv | 92.55 (6) |
O1iii—K1—H1xv | 30.092 (6) | S1xxv—O2—H2xxxv | 92.31 (7) |
O1iii—K1—H1xvi | 149.908 (7) | S1xxv—O2—H2li | 114.27 (6) |
O1iii—K1—H1xvii | 30.092 (7) | S1xxv—O2—H2xxx | 114.49 (6) |
O1iii—K1—H4 | 27.58 (5) | S1xxv—O2—H2xxxiii | 131.87 (9) |
O1iii—K1—H4xv | 114.80 (3) | S1xxv—O2—H3x | 164.58 (10) |
O1iii—K1—H4xvi | 113.72 (3) | S1xxv—O2—H4xlviii | 104.27 (7) |
O1iii—K1—H4xviii | 152.42 (5) | S1xxv—O2—H4l | 104.47 (7) |
O1iii—K1—H4xix | 65.20 (3) | S1xxv—O2—H4x | 125.93 (8) |
O1iii—K1—H4xx | 66.28 (3) | S1xxv—O2—H4lii | 125.77 (8) |
O1iii—K1—H5 | 92.46 (5) | S1xxv—O2—H4xxxiii | 108.80 (8) |
O1iii—K1—H5xviii | 87.54 (5) | S1xxv—O2—H5xlviii | 140.62 (9) |
O1iv—K1—O1v | 119.817 (8) | O1xxv—O2—O2xv | 60.01 (6) |
O1iv—K1—O1vi | 119.817 (9) | O1xxv—O2—O2xvi | 60.01 (6) |
O1iv—K1—O2vii | 108.19 (4) | O1xxv—O2—H1xlix | 39.12 (3) |
O1iv—K1—O2viii | 44.17 (6) | O1xxv—O2—H1l | 39.13 (3) |
O1iv—K1—O2ix | 108.15 (5) | O1xxv—O2—H2xxxiv | 103.13 (5) |
O1iv—K1—O2x | 71.81 (4) | O1xxv—O2—H2xxxv | 102.95 (5) |
O1iv—K1—O2xi | 135.83 (6) | O1xxv—O2—H2li | 113.01 (4) |
O1iv—K1—O2xii | 71.85 (5) | O1xxv—O2—H2xxx | 113.19 (4) |
O1iv—K1—H1xiii | 90.000 (7) | O1xxv—O2—H2xxxiii | 168.82 (9) |
O1iv—K1—H1 | 90.000 (7) | O1xxv—O2—H3x | 158.47 (9) |
O1iv—K1—H1xiv | 30.092 (6) | O1xxv—O2—H4xlviii | 68.16 (5) |
O1iv—K1—H1xv | 149.908 (6) | O1xxv—O2—H4l | 68.39 (5) |
O1iv—K1—H1xvi | 30.092 (7) | O1xxv—O2—H4x | 90.00 (6) |
O1iv—K1—H1xvii | 149.908 (7) | O1xxv—O2—H4lii | 89.85 (6) |
O1iv—K1—H4 | 152.42 (5) | O1xxv—O2—H4xxxiii | 71.85 (6) |
O1iv—K1—H4xv | 65.20 (3) | O1xxv—O2—H5xlviii | 103.67 (7) |
O1iv—K1—H4xvi | 66.28 (3) | O2xv—O2—O2xvi | 60.00 (6) |
O1iv—K1—H4xviii | 27.58 (5) | O2xv—O2—H1xlix | 95.71 (7) |
O1iv—K1—H4xix | 114.80 (3) | O2xv—O2—H1l | 62.76 (5) |
O1iv—K1—H4xx | 113.72 (3) | O2xv—O2—H2xxxiv | 115.20 (8) |
O1iv—K1—H5 | 87.54 (5) | O2xv—O2—H2xxxv | 58.36 (5) |
O1iv—K1—H5xviii | 92.46 (5) | O2xv—O2—H2li | 139.84 (7) |
O1v—K1—O1vi | 119.817 (9) | O2xv—O2—H2xxx | 82.09 (5) |
O1v—K1—O2vii | 44.17 (6) | O2xv—O2—H2xxxiii | 110.62 (6) |
O1v—K1—O2viii | 108.15 (5) | O2xv—O2—H3x | 136.48 (7) |
O1v—K1—O2ix | 108.19 (5) | O2xv—O2—H4xlviii | 110.47 (6) |
O1v—K1—O2x | 135.83 (6) | O2xv—O2—H4l | 124.20 (6) |
O1v—K1—O2xi | 71.85 (5) | O2xv—O2—H4x | 143.02 (6) |
O1v—K1—O2xii | 71.81 (5) | O2xv—O2—H4lii | 125.42 (6) |
O1v—K1—H1xiii | 30.092 (7) | O2xv—O2—H4xxxiii | 121.26 (7) |
O1v—K1—H1 | 149.908 (7) | O2xv—O2—H5xlviii | 143.70 (7) |
O1v—K1—H1xiv | 149.908 (6) | O2xvi—O2—H1xlix | 62.71 (5) |
O1v—K1—H1xv | 30.092 (6) | O2xvi—O2—H1l | 95.74 (7) |
O1v—K1—H1xvi | 90.000 (7) | O2xvi—O2—H2xxxiv | 58.60 (4) |
O1v—K1—H1xvii | 90.000 (7) | O2xvi—O2—H2xxxv | 114.97 (8) |
O1v—K1—H4 | 65.20 (3) | O2xvi—O2—H2li | 81.87 (4) |
O1v—K1—H4xv | 66.28 (3) | O2xvi—O2—H2xxx | 140.03 (7) |
O1v—K1—H4xvi | 152.42 (5) | O2xvi—O2—H2xxxiii | 110.75 (6) |
O1v—K1—H4xviii | 114.80 (3) | O2xvi—O2—H3x | 136.38 (6) |
O1v—K1—H4xix | 113.72 (3) | O2xvi—O2—H4xlviii | 123.90 (6) |
O1v—K1—H4xx | 27.58 (5) | O2xvi—O2—H4l | 110.50 (6) |
O1v—K1—H5 | 87.54 (5) | O2xvi—O2—H4x | 125.58 (6) |
O1v—K1—H5xviii | 92.46 (5) | O2xvi—O2—H4lii | 142.94 (6) |
O1vi—K1—O2vii | 108.15 (4) | O2xvi—O2—H4xxxiii | 120.91 (7) |
O1vi—K1—O2viii | 108.19 (5) | O2xvi—O2—H5xlviii | 143.58 (7) |
O1vi—K1—O2ix | 44.17 (6) | H1xlix—O2—H1l | 67.81 (4) |
O1vi—K1—O2x | 71.85 (4) | H1xlix—O2—H2xxxiv | 73.45 (3) |
O1vi—K1—O2xi | 71.81 (5) | H1xlix—O2—H2xxxv | 140.37 (6) |
O1vi—K1—O2xii | 135.83 (6) | H1xlix—O2—H2li | 75.50 (3) |
O1vi—K1—H1xiii | 149.908 (6) | H1xlix—O2—H2xxx | 139.55 (5) |
O1vi—K1—H1 | 30.092 (6) | H1xlix—O2—H2xxxiii | 145.02 (5) |
O1vi—K1—H1xiv | 90.000 (8) | H1xlix—O2—H3x | 127.81 (6) |
O1vi—K1—H1xv | 90.000 (8) | H1xlix—O2—H4xlviii | 63.96 (3) |
O1vi—K1—H1xvi | 149.908 (6) | H1xlix—O2—H4l | 47.89 (2) |
O1vi—K1—H1xvii | 30.092 (6) | H1xlix—O2—H4x | 65.89 (3) |
O1vi—K1—H4 | 66.28 (3) | H1xlix—O2—H4lii | 80.36 (4) |
O1vi—K1—H4xv | 152.42 (5) | H1xlix—O2—H4xxxiii | 58.37 (3) |
O1vi—K1—H4xvi | 65.20 (3) | H1xlix—O2—H5xlviii | 84.06 (5) |
O1vi—K1—H4xviii | 113.72 (3) | H1l—O2—H2xxxiv | 140.50 (6) |
O1vi—K1—H4xix | 27.58 (5) | H1l—O2—H2xxxv | 73.38 (3) |
O1vi—K1—H4xx | 114.80 (3) | H1l—O2—H2li | 139.45 (5) |
O1vi—K1—H5 | 87.54 (5) | H1l—O2—H2xxx | 75.65 (3) |
O1vi—K1—H5xviii | 92.46 (5) | H1l—O2—H2xxxiii | 144.79 (5) |
O2vii—K1—O2viii | 72.98 (5) | H1l—O2—H3x | 127.87 (6) |
O2vii—K1—O2ix | 72.98 (5) | H1l—O2—H4xlviii | 47.79 (2) |
O2vii—K1—O2x | 180.0 (5) | H1l—O2—H4l | 64.22 (3) |
O2vii—K1—O2xi | 107.02 (5) | H1l—O2—H4x | 80.37 (4) |
O2vii—K1—O2xii | 107.02 (5) | H1l—O2—H4lii | 65.66 (3) |
O2vii—K1—H1xiii | 53.52 (3) | H1l—O2—H4xxxiii | 58.70 (3) |
O2vii—K1—H1 | 126.48 (3) | H1l—O2—H5xlviii | 84.09 (5) |
O2vii—K1—H1xiv | 126.51 (3) | H2xxxiv—O2—H2xxxv | 142.46 (7) |
O2vii—K1—H1xv | 53.49 (3) | H2xxxiv—O2—H2li | 24.643 (19) |
O2vii—K1—H1xvi | 90.02 (2) | H2xxxiv—O2—H2xxx | 143.55 (6) |
O2vii—K1—H1xvii | 89.98 (2) | H2xxxiv—O2—H2xxxiii | 74.63 (4) |
O2vii—K1—H4 | 93.47 (3) | H2xxxiv—O2—H3x | 82.60 (5) |
O2vii—K1—H4xv | 94.18 (3) | H2xxxiv—O2—H4xlviii | 119.19 (5) |
O2vii—K1—H4xvi | 163.40 (3) | H2xxxiv—O2—H4l | 95.13 (4) |
O2vii—K1—H4xviii | 86.53 (3) | H2xxxiv—O2—H4x | 90.98 (5) |
O2vii—K1—H4xix | 85.82 (3) | H2xxxiv—O2—H4lii | 115.46 (6) |
O2vii—K1—H4xx | 16.60 (3) | H2xxxiv—O2—H4xxxiii | 106.41 (6) |
O2vii—K1—H5 | 43.37 (3) | H2xxxiv—O2—H5xlviii | 99.58 (6) |
O2vii—K1—H5xviii | 136.63 (3) | H2xxxv—O2—H2li | 143.88 (6) |
O2viii—K1—O2ix | 72.98 (4) | H2xxxv—O2—H2xxx | 25.058 (17) |
O2viii—K1—O2x | 107.02 (5) | H2xxxv—O2—H2xxxiii | 74.54 (4) |
O2viii—K1—O2xi | 180.0 (5) | H2xxxv—O2—H3x | 82.96 (5) |
O2viii—K1—O2xii | 107.02 (4) | H2xxxv—O2—H4xlviii | 95.46 (4) |
O2viii—K1—H1xiii | 89.98 (4) | H2xxxv—O2—H4l | 119.47 (5) |
O2viii—K1—H1 | 90.02 (4) | H2xxxv—O2—H4x | 115.52 (6) |
O2viii—K1—H1xiv | 53.52 (4) | H2xxxv—O2—H4lii | 91.09 (4) |
O2viii—K1—H1xv | 126.48 (4) | H2xxxv—O2—H4xxxiii | 107.10 (5) |
O2viii—K1—H1xvi | 53.49 (3) | H2xxxv—O2—H5xlviii | 99.94 (6) |
O2viii—K1—H1xvii | 126.51 (3) | H2li—O2—H2xxx | 129.62 (6) |
O2viii—K1—H4 | 163.40 (3) | H2li—O2—H2xxxiii | 69.53 (3) |
O2viii—K1—H4xv | 93.47 (3) | H2li—O2—H3x | 64.85 (3) |
O2viii—K1—H4xvi | 94.18 (4) | H2li—O2—H4xlviii | 100.69 (4) |
O2viii—K1—H4xviii | 16.60 (3) | H2li—O2—H4l | 78.67 (3) |
O2viii—K1—H4xix | 86.53 (3) | H2li—O2—H4x | 69.10 (3) |
O2viii—K1—H4xx | 85.82 (4) | H2li—O2—H4lii | 92.22 (4) |
O2viii—K1—H5 | 43.37 (3) | H2li—O2—H4xxxiii | 87.77 (5) |
O2viii—K1—H5xviii | 136.63 (3) | H2li—O2—H5xlviii | 75.34 (4) |
O2ix—K1—O2x | 107.02 (5) | H2xxx—O2—H2xxxiii | 69.15 (3) |
O2ix—K1—O2xi | 107.02 (4) | H2xxx—O2—H3x | 64.77 (3) |
O2ix—K1—O2xii | 180.0 (5) | H2xxx—O2—H4xlviii | 78.93 (3) |
O2ix—K1—H1xiii | 126.51 (4) | H2xxx—O2—H4l | 100.72 (4) |
O2ix—K1—H1 | 53.49 (4) | H2xxx—O2—H4x | 91.94 (4) |
O2ix—K1—H1xiv | 89.98 (4) | H2xxx—O2—H4lii | 68.98 (3) |
O2ix—K1—H1xv | 90.02 (4) | H2xxx—O2—H4xxxiii | 88.25 (4) |
O2ix—K1—H1xvi | 126.48 (2) | H2xxx—O2—H5xlviii | 75.32 (4) |
O2ix—K1—H1xvii | 53.52 (2) | H2xxxiii—O2—H3x | 32.71 (2) |
O2ix—K1—H4 | 94.18 (3) | H2xxxiii—O2—H4xlviii | 122.68 (6) |
O2ix—K1—H4xv | 163.40 (3) | H2xxxiii—O2—H4l | 122.50 (6) |
O2ix—K1—H4xvi | 93.47 (4) | H2xxxiii—O2—H4x | 100.94 (6) |
O2ix—K1—H4xviii | 85.82 (3) | H2xxxiii—O2—H4lii | 101.03 (5) |
O2ix—K1—H4xix | 16.60 (3) | H2xxxiii—O2—H4xxxiii | 119.33 (8) |
O2ix—K1—H4xx | 86.53 (4) | H2xxxiii—O2—H5xlviii | 87.51 (6) |
O2ix—K1—H5 | 43.37 (3) | H3x—O2—H4xlviii | 90.82 (5) |
O2ix—K1—H5xviii | 136.63 (3) | H3x—O2—H4l | 90.58 (5) |
O2x—K1—O2xi | 72.98 (5) | H3x—O2—H4x | 68.99 (5) |
O2x—K1—O2xii | 72.98 (5) | H3x—O2—H4lii | 69.18 (4) |
O2x—K1—H1xiii | 126.48 (3) | H3x—O2—H4xxxiii | 86.62 (6) |
O2x—K1—H1 | 53.52 (3) | H3x—O2—H5xlviii | 54.80 (4) |
O2x—K1—H1xiv | 53.49 (3) | H4xlviii—O2—H4l | 24.237 (13) |
O2x—K1—H1xv | 126.51 (3) | H4xlviii—O2—H4x | 33.081 (18) |
O2x—K1—H1xvi | 89.98 (2) | H4xlviii—O2—H4lii | 21.692 (11) |
O2x—K1—H1xvii | 90.02 (2) | H4xlviii—O2—H4xxxiii | 12.994 (12) |
O2x—K1—H4 | 86.53 (3) | H4xlviii—O2—H5xlviii | 37.74 (2) |
O2x—K1—H4xv | 85.82 (3) | H4l—O2—H4x | 21.618 (11) |
O2x—K1—H4xvi | 16.60 (3) | H4l—O2—H4lii | 33.059 (18) |
O2x—K1—H4xviii | 93.47 (3) | H4l—O2—H4xxxiii | 12.570 (12) |
O2x—K1—H4xix | 94.18 (3) | H4l—O2—H5xlviii | 37.54 (2) |
O2x—K1—H4xx | 163.40 (3) | H4x—O2—H4lii | 25.152 (15) |
O2x—K1—H5 | 136.63 (3) | H4x—O2—H4xxxiii | 21.76 (2) |
O2x—K1—H5xviii | 43.37 (3) | H4x—O2—H5xlviii | 18.411 (15) |
O2xi—K1—O2xii | 72.98 (4) | H4lii—O2—H4xxxiii | 22.03 (2) |
O2xi—K1—H1xiii | 90.02 (4) | H4lii—O2—H5xlviii | 18.689 (14) |
O2xi—K1—H1 | 89.98 (4) | H4xxxiii—O2—H5xlviii | 31.82 (3) |
O2xi—K1—H1xiv | 126.48 (4) | K1—H1—K1xl | 180.0 (5) |
O2xi—K1—H1xv | 53.52 (4) | K1—H1—N1 | 0.0 (5) |
O2xi—K1—H1xvi | 126.51 (3) | K1—H1—N1xl | 180.0 (5) |
O2xi—K1—H1xvii | 53.49 (3) | K1—H1—S1ii | 90.000 (5) |
O2xi—K1—H4 | 16.60 (3) | K1—H1—S1vi | 90.000 (5) |
O2xi—K1—H4xv | 86.53 (3) | K1—H1—O1ii | 90.000 (7) |
O2xi—K1—H4xvi | 85.82 (4) | K1—H1—O1vi | 90.000 (7) |
O2xi—K1—H4xviii | 163.40 (3) | K1—H1—O2liii | 117.27 (4) |
O2xi—K1—H4xix | 93.47 (3) | K1—H1—O2ix | 62.74 (4) |
O2xi—K1—H4xx | 94.18 (4) | K1—H1—O2x | 62.73 (4) |
O2xi—K1—H5 | 136.63 (3) | K1—H1—O2xxxiii | 117.26 (4) |
O2xi—K1—H5xviii | 43.37 (3) | K1—H1—H1xiv | 60.000 (7) |
O2xii—K1—H1xiii | 53.49 (4) | K1—H1—H1xxxviii | 120.000 (7) |
O2xii—K1—H1 | 126.51 (4) | K1—H1—H1xxxix | 120.000 (7) |
O2xii—K1—H1xiv | 90.02 (4) | K1—H1—H1xvii | 60.000 (7) |
O2xii—K1—H1xv | 89.98 (4) | K1—H1—H2ii | 90.153 (2) |
O2xii—K1—H1xvi | 53.52 (2) | K1—H1—H2vi | 89.847 (2) |
O2xii—K1—H1xvii | 126.48 (2) | K1—H1—H4 | 16.378 (4) |
O2xii—K1—H4 | 85.82 (3) | K1—H1—H4xl | 163.531 (4) |
O2xii—K1—H4xv | 16.60 (3) | K1—H1—H4xxxviii | 165.852 (3) |
O2xii—K1—H4xvi | 86.53 (4) | K1—H1—H4xvi | 13.970 (3) |
O2xii—K1—H4xviii | 94.18 (3) | K1—H1—H4xviii | 16.469 (4) |
O2xii—K1—H4xix | 163.40 (3) | K1—H1—H4xli | 163.622 (4) |
O2xii—K1—H4xx | 93.47 (4) | K1—H1—H4xix | 14.148 (3) |
O2xii—K1—H5 | 136.63 (3) | K1—H1—H4xlii | 166.030 (3) |
O2xii—K1—H5xviii | 43.37 (3) | K1—H1—H5 | 24.2853 (16) |
H1xiii—K1—H1 | 180.0 (5) | K1—H1—H5xl | 155.7147 (16) |
H1xiii—K1—H1xiv | 120.000 (7) | K1—H1—H5xviii | 24.2853 (16) |
H1xiii—K1—H1xv | 60.000 (7) | K1—H1—H5xli | 155.7147 (16) |
H1xiii—K1—H1xvi | 60.000 (7) | K1xl—H1—N1 | 180.0 (5) |
H1xiii—K1—H1xvii | 120.000 (7) | K1xl—H1—N1xl | 0.0 (5) |
H1xiii—K1—H4 | 89.431 (6) | K1xl—H1—S1ii | 90.000 (5) |
H1xiii—K1—H4xv | 41.869 (4) | K1xl—H1—S1vi | 90.000 (5) |
H1xiii—K1—H4xvi | 138.991 (4) | K1xl—H1—O1ii | 90.000 (7) |
H1xiii—K1—H4xviii | 90.569 (6) | K1xl—H1—O1vi | 90.000 (7) |
H1xiii—K1—H4xix | 138.131 (4) | K1xl—H1—O2liii | 62.73 (4) |
H1xiii—K1—H4xx | 41.009 (4) | K1xl—H1—O2ix | 117.26 (4) |
H1xiii—K1—H5 | 90 | K1xl—H1—O2x | 117.27 (4) |
H1xiii—K1—H5xviii | 90 | K1xl—H1—O2xxxiii | 62.74 (4) |
H1—K1—H1xiv | 60.000 (7) | K1xl—H1—H1xiv | 120.000 (7) |
H1—K1—H1xv | 120.000 (7) | K1xl—H1—H1xxxviii | 60.000 (7) |
H1—K1—H1xvi | 120.000 (7) | K1xl—H1—H1xxxix | 60.000 (7) |
H1—K1—H1xvii | 60.000 (7) | K1xl—H1—H1xvii | 120.000 (7) |
H1—K1—H4 | 90.569 (6) | K1xl—H1—H2ii | 89.847 (2) |
H1—K1—H4xv | 138.131 (4) | K1xl—H1—H2vi | 90.153 (2) |
H1—K1—H4xvi | 41.009 (4) | K1xl—H1—H4 | 163.622 (4) |
H1—K1—H4xviii | 89.431 (6) | K1xl—H1—H4xl | 16.469 (4) |
H1—K1—H4xix | 41.869 (4) | K1xl—H1—H4xxxviii | 14.148 (3) |
H1—K1—H4xx | 138.991 (4) | K1xl—H1—H4xvi | 166.030 (3) |
H1—K1—H5 | 90 | K1xl—H1—H4xviii | 163.531 (4) |
H1—K1—H5xviii | 90 | K1xl—H1—H4xli | 16.378 (4) |
H1xiv—K1—H1xv | 180.0 (5) | K1xl—H1—H4xix | 165.852 (3) |
H1xiv—K1—H1xvi | 60.000 (7) | K1xl—H1—H4xlii | 13.970 (3) |
H1xiv—K1—H1xvii | 120.000 (7) | K1xl—H1—H5 | 155.7147 (16) |
H1xiv—K1—H4 | 138.991 (4) | K1xl—H1—H5xl | 24.2853 (16) |
H1xiv—K1—H4xv | 89.431 (7) | K1xl—H1—H5xviii | 155.7147 (16) |
H1xiv—K1—H4xvi | 41.869 (4) | K1xl—H1—H5xli | 24.2853 (16) |
H1xiv—K1—H4xviii | 41.009 (4) | N1—H1—N1xl | 180.0 (5) |
H1xiv—K1—H4xix | 90.569 (7) | N1—H1—S1ii | 90.000 (5) |
H1xiv—K1—H4xx | 138.131 (4) | N1—H1—S1vi | 90.000 (5) |
H1xiv—K1—H5 | 90 | N1—H1—O1ii | 90.000 (7) |
H1xiv—K1—H5xviii | 90 | N1—H1—O1vi | 90.000 (7) |
H1xv—K1—H1xvi | 120.000 (7) | N1—H1—O2liii | 117.27 (4) |
H1xv—K1—H1xvii | 60.000 (7) | N1—H1—O2ix | 62.74 (4) |
H1xv—K1—H4 | 41.009 (4) | N1—H1—O2x | 62.73 (4) |
H1xv—K1—H4xv | 90.569 (7) | N1—H1—O2xxxiii | 117.26 (4) |
H1xv—K1—H4xvi | 138.131 (4) | N1—H1—H1xiv | 60.000 (7) |
H1xv—K1—H4xviii | 138.991 (4) | N1—H1—H1xxxviii | 120.000 (7) |
H1xv—K1—H4xix | 89.431 (7) | N1—H1—H1xxxix | 120.000 (7) |
H1xv—K1—H4xx | 41.869 (4) | N1—H1—H1xvii | 60.000 (7) |
H1xv—K1—H5 | 90 | N1—H1—H2ii | 90.153 (2) |
H1xv—K1—H5xviii | 90 | N1—H1—H2vi | 89.847 (2) |
H1xvi—K1—H1xvii | 180.0 (5) | N1—H1—H4 | 16.378 (4) |
H1xvi—K1—H4 | 138.131 (5) | N1—H1—H4xl | 163.531 (4) |
H1xvi—K1—H4xv | 41.009 (5) | N1—H1—H4xxxviii | 165.852 (3) |
H1xvi—K1—H4xvi | 90.569 (6) | N1—H1—H4xvi | 13.970 (3) |
H1xvi—K1—H4xviii | 41.869 (5) | N1—H1—H4xviii | 16.469 (4) |
H1xvi—K1—H4xix | 138.991 (5) | N1—H1—H4xli | 163.622 (4) |
H1xvi—K1—H4xx | 89.431 (6) | N1—H1—H4xix | 14.148 (3) |
H1xvi—K1—H5 | 90 | N1—H1—H4xlii | 166.030 (3) |
H1xvi—K1—H5xviii | 90 | N1—H1—H5 | 24.2853 (16) |
H1xvii—K1—H4 | 41.869 (5) | N1—H1—H5xl | 155.7147 (16) |
H1xvii—K1—H4xv | 138.991 (5) | N1—H1—H5xviii | 24.2853 (16) |
H1xvii—K1—H4xvi | 89.431 (6) | N1—H1—H5xli | 155.7147 (16) |
H1xvii—K1—H4xviii | 138.131 (5) | N1xl—H1—S1ii | 90.000 (5) |
H1xvii—K1—H4xix | 41.009 (5) | N1xl—H1—S1vi | 90.000 (5) |
H1xvii—K1—H4xx | 90.569 (6) | N1xl—H1—O1ii | 90.000 (7) |
H1xvii—K1—H5 | 90 | N1xl—H1—O1vi | 90.000 (7) |
H1xvii—K1—H5xviii | 90 | N1xl—H1—O2liii | 62.73 (4) |
H4—K1—H4xv | 97.127 (7) | N1xl—H1—O2ix | 117.26 (4) |
H4—K1—H4xvi | 97.127 (5) | N1xl—H1—O2x | 117.27 (4) |
H4—K1—H4xviii | 180.0 (5) | N1xl—H1—O2xxxiii | 62.74 (4) |
H4—K1—H4xix | 82.873 (7) | N1xl—H1—H1xiv | 120.000 (7) |
H4—K1—H4xx | 82.873 (5) | N1xl—H1—H1xxxviii | 60.000 (7) |
H4—K1—H5 | 120.041 (3) | N1xl—H1—H1xxxix | 60.000 (7) |
H4—K1—H5xviii | 59.959 (3) | N1xl—H1—H1xvii | 120.000 (7) |
H4xv—K1—H4xvi | 97.127 (5) | N1xl—H1—H2ii | 89.847 (2) |
H4xv—K1—H4xviii | 82.873 (7) | N1xl—H1—H2vi | 90.153 (2) |
H4xv—K1—H4xix | 180.0 (5) | N1xl—H1—H4 | 163.622 (4) |
H4xv—K1—H4xx | 82.873 (5) | N1xl—H1—H4xl | 16.469 (4) |
H4xv—K1—H5 | 120.041 (3) | N1xl—H1—H4xxxviii | 14.148 (3) |
H4xv—K1—H5xviii | 59.959 (3) | N1xl—H1—H4xvi | 166.030 (3) |
H4xvi—K1—H4xviii | 82.873 (5) | N1xl—H1—H4xviii | 163.531 (4) |
H4xvi—K1—H4xix | 82.873 (5) | N1xl—H1—H4xli | 16.378 (4) |
H4xvi—K1—H4xx | 180.0 (5) | N1xl—H1—H4xix | 165.852 (3) |
H4xvi—K1—H5 | 120.0414 (16) | N1xl—H1—H4xlii | 13.970 (3) |
H4xvi—K1—H5xviii | 59.9586 (16) | N1xl—H1—H5 | 155.7147 (16) |
H4xviii—K1—H4xix | 97.127 (7) | N1xl—H1—H5xl | 24.2853 (16) |
H4xviii—K1—H4xx | 97.127 (5) | N1xl—H1—H5xviii | 155.7147 (16) |
H4xviii—K1—H5 | 59.959 (3) | N1xl—H1—H5xli | 24.2853 (16) |
H4xviii—K1—H5xviii | 120.041 (3) | S1ii—H1—S1vi | 180.0 (5) |
H4xix—K1—H4xx | 97.127 (5) | S1ii—H1—O1ii | 39.63 (9) |
H4xix—K1—H5 | 59.959 (3) | S1ii—H1—O1vi | 140.37 (9) |
H4xix—K1—H5xviii | 120.041 (3) | S1ii—H1—O2liii | 146.56 (4) |
H4xx—K1—H5 | 59.9586 (16) | S1ii—H1—O2ix | 146.54 (3) |
H4xx—K1—H5xviii | 120.0414 (16) | S1ii—H1—O2x | 33.44 (4) |
H5—K1—H5xviii | 180.0 (5) | S1ii—H1—O2xxxiii | 33.46 (3) |
K1—N1—O1i | 0 | S1ii—H1—H1xiv | 51.886 (8) |
K1—N1—O1ii | 0 | S1ii—H1—H1xxxviii | 128.114 (8) |
K1—N1—O1iii | 0 | S1ii—H1—H1xxxix | 51.886 (8) |
K1—N1—O1iv | 0 | S1ii—H1—H1xvii | 128.114 (8) |
K1—N1—O1v | 0 | S1ii—H1—H2ii | 118.359 (10) |
K1—N1—O1vi | 0 | S1ii—H1—H2vi | 61.641 (10) |
K1—N1—O2vii | 0 | S1ii—H1—H4 | 94.298 (5) |
K1—N1—O2viii | 0 | S1ii—H1—H4xl | 94.321 (6) |
K1—N1—O2ix | 0 | S1ii—H1—H4xxxviii | 75.888 (5) |
K1—N1—O2x | 0 | S1ii—H1—H4xvi | 76.089 (5) |
K1—N1—O2xi | 0 | S1ii—H1—H4xviii | 85.679 (6) |
K1—N1—O2xii | 0 | S1ii—H1—H4xli | 85.702 (5) |
K1—N1—H1xiii | 0 | S1ii—H1—H4xix | 104.112 (5) |
K1—N1—H1 | 0 | S1ii—H1—H4xlii | 103.911 (5) |
K1—N1—H1xiv | 0 | S1ii—H1—H5 | 106.768 (7) |
K1—N1—H1xv | 0 | S1ii—H1—H5xl | 106.768 (5) |
K1—N1—H1xvi | 0 | S1ii—H1—H5xviii | 73.232 (5) |
K1—N1—H1xvii | 0 | S1ii—H1—H5xli | 73.232 (7) |
K1—N1—H4 | 0 | S1vi—H1—O1ii | 140.37 (9) |
K1—N1—H4xv | 0 | S1vi—H1—O1vi | 39.63 (9) |
K1—N1—H4xvi | 0 | S1vi—H1—O2liii | 33.44 (4) |
K1—N1—H4xviii | 0 | S1vi—H1—O2ix | 33.46 (3) |
K1—N1—H4xix | 0 | S1vi—H1—O2x | 146.56 (4) |
K1—N1—H4xx | 0 | S1vi—H1—O2xxxiii | 146.54 (3) |
K1—N1—H5 | 0 | S1vi—H1—H1xiv | 128.114 (8) |
K1—N1—H5xviii | 0 | S1vi—H1—H1xxxviii | 51.886 (8) |
O1i—N1—O1ii | 119.817 (9) | S1vi—H1—H1xxxix | 128.114 (8) |
O1i—N1—O1iii | 119.817 (9) | S1vi—H1—H1xvii | 51.886 (8) |
O1i—N1—O1iv | 60.183 (9) | S1vi—H1—H2ii | 61.641 (10) |
O1i—N1—O1v | 60.183 (9) | S1vi—H1—H2vi | 118.359 (10) |
O1i—N1—O1vi | 180.0 (5) | S1vi—H1—H4 | 85.702 (5) |
O1i—N1—O2vii | 71.85 (4) | S1vi—H1—H4xl | 85.679 (6) |
O1i—N1—O2viii | 71.81 (5) | S1vi—H1—H4xxxviii | 104.112 (5) |
O1i—N1—O2ix | 135.83 (6) | S1vi—H1—H4xvi | 103.911 (5) |
O1i—N1—O2x | 108.15 (4) | S1vi—H1—H4xviii | 94.321 (6) |
O1i—N1—O2xi | 108.19 (5) | S1vi—H1—H4xli | 94.298 (5) |
O1i—N1—O2xii | 44.17 (6) | S1vi—H1—H4xix | 75.888 (5) |
O1i—N1—H1xiii | 30.092 (6) | S1vi—H1—H4xlii | 76.089 (5) |
O1i—N1—H1 | 149.908 (6) | S1vi—H1—H5 | 73.232 (7) |
O1i—N1—H1xiv | 90.000 (8) | S1vi—H1—H5xl | 73.232 (5) |
O1i—N1—H1xv | 90.000 (8) | S1vi—H1—H5xviii | 106.768 (5) |
O1i—N1—H1xvi | 30.092 (6) | S1vi—H1—H5xli | 106.768 (7) |
O1i—N1—H1xvii | 149.908 (6) | O1ii—H1—O1vi | 180.0 (5) |
O1i—N1—H4 | 113.72 (3) | O1ii—H1—O2liii | 116.58 (9) |
O1i—N1—H4xv | 27.58 (5) | O1ii—H1—O2ix | 116.54 (8) |
O1i—N1—H4xvi | 114.80 (3) | O1ii—H1—O2x | 63.42 (9) |
O1i—N1—H4xviii | 66.28 (3) | O1ii—H1—O2xxxiii | 63.46 (8) |
O1i—N1—H4xix | 152.42 (5) | O1ii—H1—H1xiv | 30.363 (15) |
O1i—N1—H4xx | 65.20 (3) | O1ii—H1—H1xxxviii | 149.637 (15) |
O1i—N1—H5 | 92.46 (5) | O1ii—H1—H1xxxix | 30.363 (14) |
O1i—N1—H5xviii | 87.54 (5) | O1ii—H1—H1xvii | 149.637 (14) |
O1ii—N1—O1iii | 119.817 (8) | O1ii—H1—H2ii | 78.73 (9) |
O1ii—N1—O1iv | 60.183 (8) | O1ii—H1—H2vi | 101.27 (9) |
O1ii—N1—O1v | 180.0 (5) | O1ii—H1—H4 | 103.361 (17) |
O1ii—N1—O1vi | 60.183 (9) | O1ii—H1—H4xl | 103.435 (17) |
O1ii—N1—O2vii | 135.83 (6) | O1ii—H1—H4xxxviii | 79.818 (17) |
O1ii—N1—O2viii | 71.85 (5) | O1ii—H1—H4xvi | 80.138 (17) |
O1ii—N1—O2ix | 71.81 (5) | O1ii—H1—H4xviii | 76.565 (17) |
O1ii—N1—O2x | 44.17 (6) | O1ii—H1—H4xli | 76.639 (17) |
O1ii—N1—O2xi | 108.15 (5) | O1ii—H1—H4xix | 100.182 (17) |
O1ii—N1—O2xii | 108.19 (5) | O1ii—H1—H4xlii | 99.862 (17) |
O1ii—N1—H1xiii | 149.908 (7) | O1ii—H1—H5 | 92.02 (4) |
O1ii—N1—H1 | 30.092 (7) | O1ii—H1—H5xl | 92.02 (4) |
O1ii—N1—H1xiv | 30.092 (6) | O1ii—H1—H5xviii | 87.98 (4) |
O1ii—N1—H1xv | 149.908 (6) | O1ii—H1—H5xli | 87.98 (4) |
O1ii—N1—H1xvi | 90.000 (7) | O1vi—H1—O2liii | 63.42 (9) |
O1ii—N1—H1xvii | 90.000 (7) | O1vi—H1—O2ix | 63.46 (8) |
O1ii—N1—H4 | 114.80 (3) | O1vi—H1—O2x | 116.58 (9) |
O1ii—N1—H4xv | 113.72 (3) | O1vi—H1—O2xxxiii | 116.54 (8) |
O1ii—N1—H4xvi | 27.58 (5) | O1vi—H1—H1xiv | 149.637 (15) |
O1ii—N1—H4xviii | 65.20 (3) | O1vi—H1—H1xxxviii | 30.363 (15) |
O1ii—N1—H4xix | 66.28 (3) | O1vi—H1—H1xxxix | 149.637 (14) |
O1ii—N1—H4xx | 152.42 (5) | O1vi—H1—H1xvii | 30.363 (14) |
O1ii—N1—H5 | 92.46 (5) | O1vi—H1—H2ii | 101.27 (9) |
O1ii—N1—H5xviii | 87.54 (5) | O1vi—H1—H2vi | 78.73 (9) |
O1iii—N1—O1iv | 180.0 (5) | O1vi—H1—H4 | 76.639 (17) |
O1iii—N1—O1v | 60.183 (8) | O1vi—H1—H4xl | 76.565 (17) |
O1iii—N1—O1vi | 60.183 (9) | O1vi—H1—H4xxxviii | 100.182 (17) |
O1iii—N1—O2vii | 71.81 (4) | O1vi—H1—H4xvi | 99.862 (17) |
O1iii—N1—O2viii | 135.83 (6) | O1vi—H1—H4xviii | 103.435 (17) |
O1iii—N1—O2ix | 71.85 (5) | O1vi—H1—H4xli | 103.361 (17) |
O1iii—N1—O2x | 108.19 (4) | O1vi—H1—H4xix | 79.818 (17) |
O1iii—N1—O2xi | 44.17 (6) | O1vi—H1—H4xlii | 80.138 (17) |
O1iii—N1—O2xii | 108.15 (5) | O1vi—H1—H5 | 87.98 (4) |
O1iii—N1—H1xiii | 90.000 (7) | O1vi—H1—H5xl | 87.98 (4) |
O1iii—N1—H1 | 90.000 (7) | O1vi—H1—H5xviii | 92.02 (4) |
O1iii—N1—H1xiv | 149.908 (6) | O1vi—H1—H5xli | 92.02 (4) |
O1iii—N1—H1xv | 30.092 (6) | O2liii—H1—O2ix | 54.53 (6) |
O1iii—N1—H1xvi | 149.908 (7) | O2liii—H1—O2x | 180.0 (5) |
O1iii—N1—H1xvii | 30.092 (7) | O2liii—H1—O2xxxiii | 125.47 (6) |
O1iii—N1—H4 | 27.58 (5) | O2liii—H1—H1xiv | 123.93 (3) |
O1iii—N1—H4xv | 114.80 (3) | O2liii—H1—H1xxxviii | 56.07 (3) |
O1iii—N1—H4xvi | 113.72 (3) | O2liii—H1—H1xxxix | 95.73 (4) |
O1iii—N1—H4xviii | 152.42 (5) | O2liii—H1—H1xvii | 84.27 (4) |
O1iii—N1—H4xix | 65.20 (3) | O2liii—H1—H2ii | 48.16 (3) |
O1iii—N1—H4xx | 66.28 (3) | O2liii—H1—H2vi | 131.84 (3) |
O1iii—N1—H5 | 92.46 (5) | O2liii—H1—H4 | 117.41 (4) |
O1iii—N1—H5xviii | 87.54 (5) | O2liii—H1—H4xl | 65.25 (3) |
O1iv—N1—O1v | 119.817 (8) | O2liii—H1—H4xxxviii | 76.37 (4) |
O1iv—N1—O1vi | 119.817 (9) | O2liii—H1—H4xvi | 130.69 (4) |
O1iv—N1—O2vii | 108.19 (4) | O2liii—H1—H4xviii | 114.75 (3) |
O1iv—N1—O2viii | 44.17 (6) | O2liii—H1—H4xli | 62.59 (4) |
O1iv—N1—O2ix | 108.15 (5) | O2liii—H1—H4xix | 103.63 (4) |
O1iv—N1—O2x | 71.81 (4) | O2liii—H1—H4xlii | 49.31 (4) |
O1iv—N1—O2xi | 135.83 (6) | O2liii—H1—H5 | 95.00 (4) |
O1iv—N1—O2xii | 71.85 (5) | O2liii—H1—H5xl | 41.57 (4) |
O1iv—N1—H1xiii | 90.000 (7) | O2liii—H1—H5xviii | 138.43 (4) |
O1iv—N1—H1 | 90.000 (7) | O2liii—H1—H5xli | 85.00 (4) |
O1iv—N1—H1xiv | 30.092 (6) | O2ix—H1—O2x | 125.47 (6) |
O1iv—N1—H1xv | 149.908 (6) | O2ix—H1—O2xxxiii | 180.0 (5) |
O1iv—N1—H1xvi | 30.092 (7) | O2ix—H1—H1xiv | 95.71 (3) |
O1iv—N1—H1xvii | 149.908 (7) | O2ix—H1—H1xxxviii | 84.29 (3) |
O1iv—N1—H4 | 152.42 (5) | O2ix—H1—H1xxxix | 123.88 (3) |
O1iv—N1—H4xv | 65.20 (3) | O2ix—H1—H1xvii | 56.12 (3) |
O1iv—N1—H4xvi | 66.28 (3) | O2ix—H1—H2ii | 48.31 (4) |
O1iv—N1—H4xviii | 27.58 (5) | O2ix—H1—H2vi | 131.69 (4) |
O1iv—N1—H4xix | 114.80 (3) | O2ix—H1—H4 | 65.26 (5) |
O1iv—N1—H4xx | 113.72 (3) | O2ix—H1—H4xl | 117.40 (4) |
O1iv—N1—H5 | 87.54 (5) | O2ix—H1—H4xxxviii | 130.75 (4) |
O1iv—N1—H5xviii | 92.46 (5) | O2ix—H1—H4xvi | 76.28 (4) |
O1v—N1—O1vi | 119.817 (9) | O2ix—H1—H4xviii | 62.60 (4) |
O1v—N1—O2vii | 44.17 (6) | O2ix—H1—H4xli | 114.74 (5) |
O1v—N1—O2viii | 108.15 (5) | O2ix—H1—H4xix | 49.25 (4) |
O1v—N1—O2ix | 108.19 (5) | O2ix—H1—H4xlii | 103.72 (4) |
O1v—N1—O2x | 135.83 (6) | O2ix—H1—H5 | 41.57 (4) |
O1v—N1—O2xi | 71.85 (5) | O2ix—H1—H5xl | 94.98 (4) |
O1v—N1—O2xii | 71.81 (5) | O2ix—H1—H5xviii | 85.02 (4) |
O1v—N1—H1xiii | 30.092 (7) | O2ix—H1—H5xli | 138.43 (4) |
O1v—N1—H1 | 149.908 (7) | O2x—H1—O2xxxiii | 54.53 (6) |
O1v—N1—H1xiv | 149.908 (6) | O2x—H1—H1xiv | 56.07 (3) |
O1v—N1—H1xv | 30.092 (6) | O2x—H1—H1xxxviii | 123.93 (3) |
O1v—N1—H1xvi | 90.000 (7) | O2x—H1—H1xxxix | 84.27 (4) |
O1v—N1—H1xvii | 90.000 (7) | O2x—H1—H1xvii | 95.73 (4) |
O1v—N1—H4 | 65.20 (3) | O2x—H1—H2ii | 131.84 (3) |
O1v—N1—H4xv | 66.28 (3) | O2x—H1—H2vi | 48.16 (3) |
O1v—N1—H4xvi | 152.42 (5) | O2x—H1—H4 | 62.59 (4) |
O1v—N1—H4xviii | 114.80 (3) | O2x—H1—H4xl | 114.75 (3) |
O1v—N1—H4xix | 113.72 (3) | O2x—H1—H4xxxviii | 103.63 (4) |
O1v—N1—H4xx | 27.58 (5) | O2x—H1—H4xvi | 49.31 (4) |
O1v—N1—H5 | 87.54 (5) | O2x—H1—H4xviii | 65.25 (3) |
O1v—N1—H5xviii | 92.46 (5) | O2x—H1—H4xli | 117.41 (4) |
O1vi—N1—O2vii | 108.15 (4) | O2x—H1—H4xix | 76.38 (4) |
O1vi—N1—O2viii | 108.19 (5) | O2x—H1—H4xlii | 130.69 (4) |
O1vi—N1—O2ix | 44.17 (6) | O2x—H1—H5 | 85.00 (4) |
O1vi—N1—O2x | 71.85 (4) | O2x—H1—H5xl | 138.43 (4) |
O1vi—N1—O2xi | 71.81 (5) | O2x—H1—H5xviii | 41.57 (4) |
O1vi—N1—O2xii | 135.83 (6) | O2x—H1—H5xli | 95.00 (4) |
O1vi—N1—H1xiii | 149.908 (6) | O2xxxiii—H1—H1xiv | 84.29 (3) |
O1vi—N1—H1 | 30.092 (6) | O2xxxiii—H1—H1xxxviii | 95.71 (3) |
O1vi—N1—H1xiv | 90.000 (8) | O2xxxiii—H1—H1xxxix | 56.12 (3) |
O1vi—N1—H1xv | 90.000 (8) | O2xxxiii—H1—H1xvii | 123.88 (3) |
O1vi—N1—H1xvi | 149.908 (6) | O2xxxiii—H1—H2ii | 131.69 (4) |
O1vi—N1—H1xvii | 30.092 (6) | O2xxxiii—H1—H2vi | 48.31 (4) |
O1vi—N1—H4 | 66.28 (3) | O2xxxiii—H1—H4 | 114.74 (5) |
O1vi—N1—H4xv | 152.42 (5) | O2xxxiii—H1—H4xl | 62.60 (4) |
O1vi—N1—H4xvi | 65.20 (3) | O2xxxiii—H1—H4xxxviii | 49.25 (4) |
O1vi—N1—H4xviii | 113.72 (3) | O2xxxiii—H1—H4xvi | 103.72 (4) |
O1vi—N1—H4xix | 27.58 (5) | O2xxxiii—H1—H4xviii | 117.40 (4) |
O1vi—N1—H4xx | 114.80 (3) | O2xxxiii—H1—H4xli | 65.26 (5) |
O1vi—N1—H5 | 87.54 (5) | O2xxxiii—H1—H4xix | 130.75 (4) |
O1vi—N1—H5xviii | 92.46 (5) | O2xxxiii—H1—H4xlii | 76.28 (4) |
O2vii—N1—O2viii | 72.98 (5) | O2xxxiii—H1—H5 | 138.43 (4) |
O2vii—N1—O2ix | 72.98 (5) | O2xxxiii—H1—H5xl | 85.02 (4) |
O2vii—N1—O2x | 180.0 (5) | O2xxxiii—H1—H5xviii | 94.98 (4) |
O2vii—N1—O2xi | 107.02 (5) | O2xxxiii—H1—H5xli | 41.57 (4) |
O2vii—N1—O2xii | 107.02 (5) | H1xiv—H1—H1xxxviii | 180.0 (5) |
O2vii—N1—H1xiii | 53.52 (3) | H1xiv—H1—H1xxxix | 60.000 (7) |
O2vii—N1—H1 | 126.48 (3) | H1xiv—H1—H1xvii | 120.000 (7) |
O2vii—N1—H1xiv | 126.51 (3) | H1xiv—H1—H2ii | 76.109 (2) |
O2vii—N1—H1xv | 53.49 (3) | H1xiv—H1—H2vi | 103.891 (2) |
O2vii—N1—H1xvi | 90.02 (2) | H1xiv—H1—H4 | 74.436 (7) |
O2vii—N1—H1xvii | 89.98 (2) | H1xiv—H1—H4xl | 133.790 (6) |
O2vii—N1—H4 | 93.47 (3) | H1xiv—H1—H4xxxviii | 110.172 (7) |
O2vii—N1—H4xv | 94.18 (3) | H1xiv—H1—H4xvi | 51.657 (6) |
O2vii—N1—H4xvi | 163.40 (3) | H1xiv—H1—H4xviii | 46.210 (6) |
O2vii—N1—H4xviii | 86.53 (3) | H1xiv—H1—H4xli | 105.564 (7) |
O2vii—N1—H4xix | 85.82 (3) | H1xiv—H1—H4xix | 69.828 (7) |
O2vii—N1—H4xx | 16.60 (3) | H1xiv—H1—H4xlii | 128.343 (6) |
O2vii—N1—H5 | 43.37 (3) | H1xiv—H1—H5 | 62.887 (6) |
O2vii—N1—H5xviii | 136.63 (3) | H1xiv—H1—H5xl | 117.113 (6) |
O2viii—N1—O2ix | 72.98 (4) | H1xiv—H1—H5xviii | 62.887 (6) |
O2viii—N1—O2x | 107.02 (5) | H1xiv—H1—H5xli | 117.113 (6) |
O2viii—N1—O2xi | 180.0 (5) | H1xxxviii—H1—H1xxxix | 120.000 (7) |
O2viii—N1—O2xii | 107.02 (4) | H1xxxviii—H1—H1xvii | 60.000 (7) |
O2viii—N1—H1xiii | 89.98 (4) | H1xxxviii—H1—H2ii | 103.891 (2) |
O2viii—N1—H1 | 90.02 (4) | H1xxxviii—H1—H2vi | 76.109 (2) |
O2viii—N1—H1xiv | 53.52 (4) | H1xxxviii—H1—H4 | 105.564 (7) |
O2viii—N1—H1xv | 126.48 (4) | H1xxxviii—H1—H4xl | 46.210 (6) |
O2viii—N1—H1xvi | 53.49 (3) | H1xxxviii—H1—H4xxxviii | 69.828 (7) |
O2viii—N1—H1xvii | 126.51 (3) | H1xxxviii—H1—H4xvi | 128.343 (6) |
O2viii—N1—H4 | 163.40 (3) | H1xxxviii—H1—H4xviii | 133.790 (6) |
O2viii—N1—H4xv | 93.47 (3) | H1xxxviii—H1—H4xli | 74.436 (7) |
O2viii—N1—H4xvi | 94.18 (4) | H1xxxviii—H1—H4xix | 110.172 (7) |
O2viii—N1—H4xviii | 16.60 (3) | H1xxxviii—H1—H4xlii | 51.657 (6) |
O2viii—N1—H4xix | 86.53 (3) | H1xxxviii—H1—H5 | 117.113 (6) |
O2viii—N1—H4xx | 85.82 (4) | H1xxxviii—H1—H5xl | 62.887 (6) |
O2viii—N1—H5 | 43.37 (3) | H1xxxviii—H1—H5xviii | 117.113 (6) |
O2viii—N1—H5xviii | 136.63 (3) | H1xxxviii—H1—H5xli | 62.887 (6) |
O2ix—N1—O2x | 107.02 (5) | H1xxxix—H1—H1xvii | 180.0 (5) |
O2ix—N1—O2xi | 107.02 (4) | H1xxxix—H1—H2ii | 75.9520 (19) |
O2ix—N1—O2xii | 180.0 (5) | H1xxxix—H1—H2vi | 104.0480 (19) |
O2ix—N1—H1xiii | 126.51 (4) | H1xxxix—H1—H4 | 133.717 (6) |
O2ix—N1—H1 | 53.49 (4) | H1xxxix—H1—H4xl | 74.517 (8) |
O2ix—N1—H1xiv | 89.98 (4) | H1xxxix—H1—H4xxxviii | 51.330 (7) |
O2ix—N1—H1xv | 90.02 (4) | H1xxxix—H1—H4xvi | 110.491 (7) |
O2ix—N1—H1xvi | 126.48 (2) | H1xxxix—H1—H4xviii | 105.483 (8) |
O2ix—N1—H1xvii | 53.52 (2) | H1xxxix—H1—H4xli | 46.283 (6) |
O2ix—N1—H4 | 94.18 (3) | H1xxxix—H1—H4xix | 128.670 (7) |
O2ix—N1—H4xv | 163.40 (3) | H1xxxix—H1—H4xlii | 69.509 (7) |
O2ix—N1—H4xvi | 93.47 (4) | H1xxxix—H1—H5 | 117.113 (6) |
O2ix—N1—H4xviii | 85.82 (3) | H1xxxix—H1—H5xl | 62.887 (6) |
O2ix—N1—H4xix | 16.60 (3) | H1xxxix—H1—H5xviii | 117.113 (6) |
O2ix—N1—H4xx | 86.53 (4) | H1xxxix—H1—H5xli | 62.887 (6) |
O2ix—N1—H5 | 43.37 (3) | H1xvii—H1—H2ii | 104.0480 (19) |
O2ix—N1—H5xviii | 136.63 (3) | H1xvii—H1—H2vi | 75.9520 (19) |
O2x—N1—O2xi | 72.98 (5) | H1xvii—H1—H4 | 46.283 (6) |
O2x—N1—O2xii | 72.98 (5) | H1xvii—H1—H4xl | 105.483 (8) |
O2x—N1—H1xiii | 126.48 (3) | H1xvii—H1—H4xxxviii | 128.670 (7) |
O2x—N1—H1 | 53.52 (3) | H1xvii—H1—H4xvi | 69.509 (7) |
O2x—N1—H1xiv | 53.49 (3) | H1xvii—H1—H4xviii | 74.517 (8) |
O2x—N1—H1xv | 126.51 (3) | H1xvii—H1—H4xli | 133.717 (6) |
O2x—N1—H1xvi | 89.98 (2) | H1xvii—H1—H4xix | 51.330 (7) |
O2x—N1—H1xvii | 90.02 (2) | H1xvii—H1—H4xlii | 110.491 (7) |
O2x—N1—H4 | 86.53 (3) | H1xvii—H1—H5 | 62.887 (6) |
O2x—N1—H4xv | 85.82 (3) | H1xvii—H1—H5xl | 117.113 (6) |
O2x—N1—H4xvi | 16.60 (3) | H1xvii—H1—H5xviii | 62.887 (6) |
O2x—N1—H4xviii | 93.47 (3) | H1xvii—H1—H5xli | 117.113 (6) |
O2x—N1—H4xix | 94.18 (3) | H2ii—H1—H2vi | 180.0 (5) |
O2x—N1—H4xx | 163.40 (3) | H2ii—H1—H4 | 101.898 (2) |
O2x—N1—H5 | 136.63 (3) | H2ii—H1—H4xl | 101.663 (2) |
O2x—N1—H5xviii | 43.37 (3) | H2ii—H1—H4xxxviii | 97.379 (2) |
O2xi—N1—O2xii | 72.98 (4) | H2ii—H1—H4xvi | 97.814 (3) |
O2xi—N1—H1xiii | 90.02 (4) | H2ii—H1—H4xviii | 78.337 (2) |
O2xi—N1—H1 | 89.98 (4) | H2ii—H1—H4xli | 78.102 (2) |
O2xi—N1—H1xiv | 126.48 (4) | H2ii—H1—H4xix | 82.621 (2) |
O2xi—N1—H1xv | 53.52 (4) | H2ii—H1—H4xlii | 82.186 (3) |
O2xi—N1—H1xvi | 126.51 (3) | H2ii—H1—H5 | 66.887 (2) |
O2xi—N1—H1xvii | 53.49 (3) | H2ii—H1—H5xl | 66.584 (3) |
O2xi—N1—H4 | 16.60 (3) | H2ii—H1—H5xviii | 113.416 (3) |
O2xi—N1—H4xv | 86.53 (3) | H2ii—H1—H5xli | 113.113 (2) |
O2xi—N1—H4xvi | 85.82 (4) | H2vi—H1—H4 | 78.102 (2) |
O2xi—N1—H4xviii | 163.40 (3) | H2vi—H1—H4xl | 78.337 (2) |
O2xi—N1—H4xix | 93.47 (3) | H2vi—H1—H4xxxviii | 82.621 (2) |
O2xi—N1—H4xx | 94.18 (4) | H2vi—H1—H4xvi | 82.186 (3) |
O2xi—N1—H5 | 136.63 (3) | H2vi—H1—H4xviii | 101.663 (2) |
O2xi—N1—H5xviii | 43.37 (3) | H2vi—H1—H4xli | 101.898 (2) |
O2xii—N1—H1xiii | 53.49 (4) | H2vi—H1—H4xix | 97.379 (2) |
O2xii—N1—H1 | 126.51 (4) | H2vi—H1—H4xlii | 97.814 (3) |
O2xii—N1—H1xiv | 90.02 (4) | H2vi—H1—H5 | 113.113 (2) |
O2xii—N1—H1xv | 89.98 (4) | H2vi—H1—H5xl | 113.416 (3) |
O2xii—N1—H1xvi | 53.52 (2) | H2vi—H1—H5xviii | 66.584 (3) |
O2xii—N1—H1xvii | 126.48 (2) | H2vi—H1—H5xli | 66.887 (2) |
O2xii—N1—H4 | 85.82 (3) | H4—H1—H4xl | 147.152 (5) |
O2xii—N1—H4xv | 16.60 (3) | H4—H1—H4xxxviii | 160.7161 (17) |
O2xii—N1—H4xvi | 86.53 (4) | H4—H1—H4xvi | 23.227 (5) |
O2xii—N1—H4xviii | 94.18 (3) | H4—H1—H4xviii | 32.848 (5) |
O2xii—N1—H4xix | 163.40 (3) | H4—H1—H4xli | 180.0 (5) |
O2xii—N1—H4xx | 93.47 (4) | H4—H1—H4xix | 19.2839 (17) |
O2xii—N1—H5 | 136.63 (3) | H4—H1—H4xlii | 156.773 (5) |
O2xii—N1—H5xviii | 43.37 (3) | H4—H1—H5 | 35.268 (3) |
H1xiii—N1—H1 | 180.0 (5) | H4—H1—H5xl | 158.841 (3) |
H1xiii—N1—H1xiv | 120.000 (7) | H4—H1—H5xviii | 21.159 (3) |
H1xiii—N1—H1xv | 60.000 (7) | H4—H1—H5xli | 144.732 (3) |
H1xiii—N1—H1xvi | 60.000 (7) | H4xl—H1—H4xxxviii | 23.619 (5) |
H1xiii—N1—H1xvii | 120.000 (7) | H4xl—H1—H4xvi | 160.522 (2) |
H1xiii—N1—H4 | 89.431 (6) | H4xl—H1—H4xviii | 180.0 (5) |
H1xiii—N1—H4xv | 41.869 (4) | H4xl—H1—H4xli | 32.848 (5) |
H1xiii—N1—H4xvi | 138.991 (4) | H4xl—H1—H4xix | 156.381 (5) |
H1xiii—N1—H4xviii | 90.569 (6) | H4xl—H1—H4xlii | 19.478 (2) |
H1xiii—N1—H4xix | 138.131 (4) | H4xl—H1—H5 | 158.826 (3) |
H1xiii—N1—H4xx | 41.009 (4) | H4xl—H1—H5xl | 35.340 (3) |
H1xiii—N1—H5 | 90 | H4xl—H1—H5xviii | 144.660 (3) |
H1xiii—N1—H5xviii | 90 | H4xl—H1—H5xli | 21.174 (3) |
H1—N1—H1xiv | 60.000 (7) | H4xxxviii—H1—H4xvi | 151.883 (4) |
H1—N1—H1xv | 120.000 (7) | H4xxxviii—H1—H4xviii | 156.381 (5) |
H1—N1—H1xvi | 120.000 (7) | H4xxxviii—H1—H4xli | 19.2839 (17) |
H1—N1—H1xvii | 60.000 (7) | H4xxxviii—H1—H4xix | 180.0 (5) |
H1—N1—H4 | 90.569 (6) | H4xxxviii—H1—H4xlii | 28.117 (4) |
H1—N1—H4xv | 138.131 (4) | H4xxxviii—H1—H5 | 163.590 (3) |
H1—N1—H4xvi | 41.009 (4) | H4xxxviii—H1—H5xl | 36.055 (3) |
H1—N1—H4xviii | 89.431 (6) | H4xxxviii—H1—H5xviii | 143.945 (3) |
H1—N1—H4xix | 41.869 (4) | H4xxxviii—H1—H5xli | 16.410 (3) |
H1—N1—H4xx | 138.991 (4) | H4xvi—H1—H4xviii | 19.478 (2) |
H1—N1—H5 | 90 | H4xvi—H1—H4xli | 156.773 (5) |
H1—N1—H5xviii | 90 | H4xvi—H1—H4xix | 28.117 (4) |
H1xiv—N1—H1xv | 180.0 (5) | H4xvi—H1—H4xlii | 180.0 (5) |
H1xiv—N1—H1xvi | 60.000 (7) | H4xvi—H1—H5 | 36.021 (3) |
H1xiv—N1—H1xvii | 120.000 (7) | H4xvi—H1—H5xl | 163.801 (3) |
H1xiv—N1—H4 | 138.991 (4) | H4xvi—H1—H5xviii | 16.199 (3) |
H1xiv—N1—H4xv | 89.431 (7) | H4xvi—H1—H5xli | 143.979 (3) |
H1xiv—N1—H4xvi | 41.869 (4) | H4xviii—H1—H4xli | 147.152 (5) |
H1xiv—N1—H4xviii | 41.009 (4) | H4xviii—H1—H4xix | 23.619 (5) |
H1xiv—N1—H4xix | 90.569 (7) | H4xviii—H1—H4xlii | 160.522 (2) |
H1xiv—N1—H4xx | 138.131 (4) | H4xviii—H1—H5 | 21.174 (3) |
H1xiv—N1—H5 | 90 | H4xviii—H1—H5xl | 144.660 (3) |
H1xiv—N1—H5xviii | 90 | H4xviii—H1—H5xviii | 35.340 (3) |
H1xv—N1—H1xvi | 120.000 (7) | H4xviii—H1—H5xli | 158.826 (3) |
H1xv—N1—H1xvii | 60.000 (7) | H4xli—H1—H4xix | 160.7161 (17) |
H1xv—N1—H4 | 41.009 (4) | H4xli—H1—H4xlii | 23.227 (5) |
H1xv—N1—H4xv | 90.569 (7) | H4xli—H1—H5 | 144.732 (3) |
H1xv—N1—H4xvi | 138.131 (4) | H4xli—H1—H5xl | 21.159 (3) |
H1xv—N1—H4xviii | 138.991 (4) | H4xli—H1—H5xviii | 158.841 (3) |
H1xv—N1—H4xix | 89.431 (7) | H4xli—H1—H5xli | 35.268 (3) |
H1xv—N1—H4xx | 41.869 (4) | H4xix—H1—H4xlii | 151.883 (4) |
H1xv—N1—H5 | 90 | H4xix—H1—H5 | 16.410 (3) |
H1xv—N1—H5xviii | 90 | H4xix—H1—H5xl | 143.945 (3) |
H1xvi—N1—H1xvii | 180.0 (5) | H4xix—H1—H5xviii | 36.055 (3) |
H1xvi—N1—H4 | 138.131 (5) | H4xix—H1—H5xli | 163.590 (3) |
H1xvi—N1—H4xv | 41.009 (5) | H4xlii—H1—H5 | 143.979 (3) |
H1xvi—N1—H4xvi | 90.569 (6) | H4xlii—H1—H5xl | 16.199 (3) |
H1xvi—N1—H4xviii | 41.869 (5) | H4xlii—H1—H5xviii | 163.801 (3) |
H1xvi—N1—H4xix | 138.991 (5) | H4xlii—H1—H5xli | 36.021 (3) |
H1xvi—N1—H4xx | 89.431 (6) | H5—H1—H5xl | 131.429 (3) |
H1xvi—N1—H5 | 90 | H5—H1—H5xviii | 48.571 (3) |
H1xvi—N1—H5xviii | 90 | H5—H1—H5xli | 180.0 (5) |
H1xvii—N1—H4 | 41.869 (5) | H5xl—H1—H5xviii | 180.0 (5) |
H1xvii—N1—H4xv | 138.991 (5) | H5xl—H1—H5xli | 48.571 (3) |
H1xvii—N1—H4xvi | 89.431 (6) | H5xviii—H1—H5xli | 131.429 (3) |
H1xvii—N1—H4xviii | 138.131 (5) | K2—H2—N2 | 0.19 (12) |
H1xvii—N1—H4xix | 41.009 (5) | K2—H2—S1xxxi | 163.55 (12) |
H1xvii—N1—H4xx | 90.569 (6) | K2—H2—O1 | 82.39 (12) |
H1xvii—N1—H5 | 90 | K2—H2—O2iii | 146.72 (6) |
H1xvii—N1—H5xviii | 90 | K2—H2—O2xxi | 70.67 (5) |
H4—N1—H4xv | 97.127 (7) | K2—H2—O2xxii | 71.56 (4) |
H4—N1—H4xvi | 97.127 (5) | K2—H2—O2xxiv | 145.45 (6) |
H4—N1—H4xviii | 180.0 (5) | K2—H2—O2xi | 105.48 (13) |
H4—N1—H4xix | 82.873 (7) | K2—H2—H1xxviii | 114.77 (12) |
H4—N1—H4xx | 82.873 (5) | K2—H2—H2xv | 31.10 (3) |
H4—N1—H5 | 120.041 (3) | K2—H2—H2xvi | 31.10 (3) |
H4—N1—H5xviii | 59.959 (3) | K2—H2—H2xliii | 107.90 (8) |
H4xv—N1—H4xvi | 97.127 (5) | K2—H2—H2xliv | 108.93 (8) |
H4xv—N1—H4xviii | 82.873 (7) | K2—H2—H3 | 45.91 (12) |
H4xv—N1—H4xix | 180.0 (5) | K2—H2—H3v | 103.07 (3) |
H4xv—N1—H4xx | 82.873 (5) | K2—H2—H3vi | 104.14 (3) |
H4xv—N1—H5 | 120.041 (3) | K2—H2—H5xlv | 108.34 (5) |
H4xv—N1—H5xviii | 59.959 (3) | N2—H2—S1xxxi | 163.743 (9) |
H4xvi—N1—H4xviii | 82.873 (5) | N2—H2—O1 | 82.580 (14) |
H4xvi—N1—H4xix | 82.873 (5) | N2—H2—O2iii | 146.79 (5) |
H4xvi—N1—H4xx | 180.0 (5) | N2—H2—O2xxi | 70.73 (4) |
H4xvi—N1—H5 | 120.0414 (16) | N2—H2—O2xxii | 71.62 (3) |
H4xvi—N1—H5xviii | 59.9586 (16) | N2—H2—O2xxiv | 145.51 (4) |
H4xviii—N1—H4xix | 97.127 (7) | N2—H2—O2xi | 105.29 (4) |
H4xviii—N1—H4xx | 97.127 (5) | N2—H2—H1xxviii | 114.9673 (8) |
H4xviii—N1—H5 | 59.959 (3) | N2—H2—H2xv | 31.144 (6) |
H4xviii—N1—H5xviii | 120.041 (3) | N2—H2—H2xvi | 31.144 (5) |
H4xix—N1—H4xx | 97.127 (5) | N2—H2—H2xliii | 107.771 (5) |
H4xix—N1—H5 | 59.959 (3) | N2—H2—H2xliv | 108.799 (6) |
H4xix—N1—H5xviii | 120.041 (3) | N2—H2—H3 | 45.713 (2) |
H4xx—N1—H5 | 59.9586 (16) | N2—H2—H3v | 103.027 (7) |
H4xx—N1—H5xviii | 120.0414 (16) | N2—H2—H3vi | 104.095 (7) |
H5—N1—H5xviii | 180.0 (5) | N2—H2—H5xlv | 108.419 (7) |
N2—K2—O1 | 180.0 (5) | S1xxxi—H2—O1 | 81.176 (17) |
N2—K2—O2i | 106.28 (4) | S1xxxi—H2—O2iii | 31.67 (4) |
N2—K2—O2iii | 106.27 (4) | S1xxxi—H2—O2xxi | 103.24 (4) |
N2—K2—O2xxi | 106.27 (4) | S1xxxi—H2—O2xxii | 103.61 (3) |
N2—K2—O2xxii | 106.28 (4) | S1xxxi—H2—O2xxiv | 31.67 (5) |
N2—K2—O2xxiii | 106.27 (4) | S1xxxi—H2—O2xi | 90.95 (4) |
N2—K2—O2xxiv | 106.28 (4) | S1xxxi—H2—H1xxviii | 48.787 (9) |
N2—K2—O2x | 39.83 (4) | S1xxxi—H2—H2xv | 141.180 (7) |
N2—K2—O2xi | 39.83 (4) | S1xxxi—H2—H2xvi | 142.203 (7) |
N2—K2—O2xii | 39.83 (4) | S1xxxi—H2—H2xliii | 82.912 (8) |
N2—K2—H2 | 98.59 (12) | S1xxxi—H2—H2xliv | 82.912 (10) |
N2—K2—H2xv | 98.59 (12) | S1xxxi—H2—H3 | 150.525 (9) |
N2—K2—H2xvi | 98.59 (12) | S1xxxi—H2—H3v | 80.529 (7) |
N2—K2—H3 | 0.0 (5) | S1xxxi—H2—H3vi | 80.795 (8) |
N2—K2—H5xviii | 0.0 (5) | S1xxxi—H2—H5xlv | 66.002 (7) |
O1—K2—O2i | 73.72 (4) | O1—H2—O2iii | 85.30 (4) |
O1—K2—O2iii | 73.73 (4) | O1—H2—O2xxi | 71.43 (3) |
O1—K2—O2xxi | 73.73 (4) | O1—H2—O2xxii | 71.61 (3) |
O1—K2—O2xxii | 73.72 (4) | O1—H2—O2xxiv | 85.15 (4) |
O1—K2—O2xxiii | 73.73 (4) | O1—H2—O2xi | 172.13 (4) |
O1—K2—O2xxiv | 73.72 (4) | O1—H2—H1xxviii | 32.389 (14) |
O1—K2—O2x | 140.17 (4) | O1—H2—H2xv | 76.015 (12) |
O1—K2—O2xi | 140.17 (4) | O1—H2—H2xvi | 76.015 (12) |
O1—K2—O2xii | 140.17 (4) | O1—H2—H2xliii | 131.956 (5) |
O1—K2—H2 | 81.41 (12) | O1—H2—H2xliv | 132.327 (5) |
O1—K2—H2xv | 81.41 (12) | O1—H2—H3 | 128.293 (15) |
O1—K2—H2xvi | 81.41 (12) | O1—H2—H3v | 104.484 (3) |
O1—K2—H3 | 180.0 (5) | O1—H2—H3vi | 104.840 (4) |
O1—K2—H5xviii | 180.0 (5) | O1—H2—H5xlv | 68.938 (7) |
O2i—K2—O2iii | 145.44 (7) | O2iii—H2—O2xxi | 133.29 (5) |
O2i—K2—O2xxi | 46.17 (5) | O2iii—H2—O2xxii | 75.23 (5) |
O2i—K2—O2xxii | 112.47 (5) | O2iii—H2—O2xxiv | 63.04 (6) |
O2i—K2—O2xxiii | 68.50 (5) | O2iii—H2—O2xi | 88.13 (4) |
O2i—K2—O2xxiv | 112.47 (5) | O2iii—H2—H1xxviii | 58.39 (3) |
O2i—K2—O2x | 106.14 (4) | O2iii—H2—H2xv | 161.32 (3) |
O2i—K2—O2xi | 135.52 (6) | O2iii—H2—H2xvi | 115.73 (5) |
O2i—K2—O2xii | 69.77 (4) | O2iii—H2—H2xliii | 103.33 (4) |
O2i—K2—H2 | 137.06 (9) | O2iii—H2—H2xliv | 59.55 (4) |
O2i—K2—H2xv | 25.22 (5) | O2iii—H2—H3 | 136.17 (4) |
O2i—K2—H2xvi | 92.70 (5) | O2iii—H2—H3v | 109.92 (5) |
O2i—K2—H3 | 106.28 (4) | O2iii—H2—H3vi | 49.89 (4) |
O2i—K2—H5xviii | 106.28 (4) | O2iii—H2—H5xlv | 38.53 (4) |
O2iii—K2—O2xxi | 112.48 (5) | O2xxi—H2—O2xxii | 129.62 (4) |
O2iii—K2—O2xxii | 68.50 (5) | O2xxi—H2—O2xxiv | 74.82 (6) |
O2iii—K2—O2xxiii | 112.48 (5) | O2xxi—H2—O2xi | 110.47 (4) |
O2iii—K2—O2xxiv | 46.17 (5) | O2xxi—H2—H1xxviii | 83.25 (3) |
O2iii—K2—O2x | 106.17 (4) | O2xxi—H2—H2xv | 39.62 (4) |
O2iii—K2—O2xi | 69.74 (4) | O2xxi—H2—H2xvi | 97.57 (4) |
O2iii—K2—O2xii | 135.48 (6) | O2xxi—H2—H2xliii | 68.69 (3) |
O2iii—K2—H2 | 24.25 (5) | O2xxi—H2—H2xliv | 156.23 (3) |
O2iii—K2—H2xv | 136.22 (9) | O2xxi—H2—H3 | 88.21 (3) |
O2iii—K2—H2xvi | 93.68 (5) | O2xxi—H2—H3v | 44.01 (4) |
O2iii—K2—H3 | 106.27 (4) | O2xxi—H2—H3vi | 173.77 (4) |
O2iii—K2—H5xviii | 106.27 (4) | O2xxi—H2—H5xlv | 140.05 (3) |
O2xxi—K2—O2xxii | 145.44 (7) | O2xxii—H2—O2xxiv | 133.62 (5) |
O2xxi—K2—O2xxiii | 112.48 (6) | O2xxii—H2—O2xi | 110.85 (5) |
O2xxi—K2—O2xxiv | 68.50 (5) | O2xxii—H2—H1xxviii | 83.49 (3) |
O2xxi—K2—O2x | 135.48 (5) | O2xxii—H2—H2xv | 98.47 (3) |
O2xxi—K2—O2xi | 106.17 (5) | O2xxii—H2—H2xvi | 40.50 (3) |
O2xxi—K2—O2xii | 69.74 (5) | O2xxii—H2—H2xliii | 156.43 (2) |
O2xxi—K2—H2 | 93.68 (5) | O2xxii—H2—H2xliv | 69.06 (2) |
O2xxi—K2—H2xv | 24.25 (5) | O2xxii—H2—H3 | 88.74 (3) |
O2xxi—K2—H2xvi | 136.22 (9) | O2xxii—H2—H3v | 173.54 (2) |
O2xxi—K2—H3 | 106.27 (4) | O2xxii—H2—H3vi | 44.24 (2) |
O2xxi—K2—H5xviii | 106.27 (4) | O2xxii—H2—H5xlv | 37.67 (3) |
O2xxii—K2—O2xxiii | 46.17 (5) | O2xxiv—H2—O2xi | 88.01 (6) |
O2xxii—K2—O2xxiv | 112.47 (6) | O2xxiv—H2—H1xxviii | 58.31 (4) |
O2xxii—K2—O2x | 69.77 (4) | O2xxiv—H2—H2xv | 114.44 (4) |
O2xxii—K2—O2xi | 106.14 (5) | O2xxiv—H2—H2xvi | 161.12 (3) |
O2xxii—K2—O2xii | 135.52 (6) | O2xxiv—H2—H2xliii | 59.50 (4) |
O2xxii—K2—H2 | 92.70 (5) | O2xxiv—H2—H2xliv | 103.29 (4) |
O2xxii—K2—H2xv | 137.06 (9) | O2xxiv—H2—H3 | 135.51 (4) |
O2xxii—K2—H2xvi | 25.22 (5) | O2xxiv—H2—H3v | 49.62 (5) |
O2xxii—K2—H3 | 106.28 (4) | O2xxiv—H2—H3vi | 110.19 (4) |
O2xxii—K2—H5xviii | 106.28 (4) | O2xxiv—H2—H5xlv | 96.84 (5) |
O2xxiii—K2—O2xxiv | 145.44 (7) | O2xi—H2—H1xxviii | 139.74 (4) |
O2xxiii—K2—O2x | 69.74 (4) | O2xi—H2—H2xv | 110.50 (3) |
O2xxiii—K2—O2xi | 135.48 (7) | O2xi—H2—H2xvi | 110.87 (5) |
O2xxiii—K2—O2xii | 106.17 (5) | O2xi—H2—H2xliii | 45.83 (4) |
O2xxiii—K2—H2 | 136.22 (9) | O2xi—H2—H2xliv | 45.96 (3) |
O2xxiii—K2—H2xv | 93.68 (5) | O2xi—H2—H3 | 59.57 (4) |
O2xxiii—K2—H2xvi | 24.25 (5) | O2xi—H2—H3v | 73.73 (4) |
O2xxiii—K2—H3 | 106.27 (4) | O2xi—H2—H3vi | 73.92 (4) |
O2xxiii—K2—H5xviii | 106.27 (4) | O2xi—H2—H5xlv | 108.13 (3) |
O2xxiv—K2—O2x | 135.52 (6) | H1xxviii—H2—H2xv | 103.814 (2) |
O2xxiv—K2—O2xi | 69.77 (5) | H1xxviii—H2—H2xvi | 104.1209 (19) |
O2xxiv—K2—O2xii | 106.14 (5) | H1xxviii—H2—H2xliii | 116.272 (3) |
O2xxiv—K2—H2 | 25.22 (5) | H1xxviii—H2—H2xliv | 116.434 (5) |
O2xxiv—K2—H2xv | 92.70 (5) | H1xxviii—H2—H3 | 160.6783 (14) |
O2xxiv—K2—H2xvi | 137.06 (9) | H1xxviii—H2—H3v | 95.852 (2) |
O2xxiv—K2—H3 | 106.28 (4) | H1xxviii—H2—H3vi | 96.172 (3) |
O2xxiv—K2—H5xviii | 106.28 (4) | H1xxviii—H2—H5xlv | 60.347 (2) |
O2x—K2—O2xi | 67.38 (6) | H2xv—H2—H2xvi | 60.000 (7) |
O2x—K2—O2xii | 67.38 (6) | H2xv—H2—H2xliii | 89.430 (6) |
O2x—K2—H2 | 115.26 (10) | H2xv—H2—H2xliv | 135.248 (4) |
O2x—K2—H2xv | 115.85 (10) | H2xv—H2—H3 | 59.805 (4) |
O2x—K2—H2xvi | 58.76 (10) | H2xv—H2—H3v | 75.414 (7) |
O2x—K2—H3 | 39.83 (4) | H2xv—H2—H3vi | 135.228 (6) |
O2x—K2—H5xviii | 39.83 (4) | H2xv—H2—H5xlv | 130.270 (5) |
O2xi—K2—O2xii | 67.38 (5) | H2xvi—H2—H2xliii | 134.443 (4) |
O2xi—K2—H2 | 58.76 (10) | H2xvi—H2—H2xliv | 90.570 (7) |
O2xi—K2—H2xv | 115.26 (11) | H2xvi—H2—H3 | 59.805 (4) |
O2xi—K2—H2xvi | 115.85 (11) | H2xvi—H2—H3v | 134.155 (6) |
O2xi—K2—H3 | 39.83 (4) | H2xvi—H2—H3vi | 76.518 (8) |
O2xi—K2—H5xviii | 39.83 (4) | H2xvi—H2—H5xlv | 77.744 (7) |
O2xii—K2—H2 | 115.85 (11) | H2xliii—H2—H2xliv | 89.696 (5) |
O2xii—K2—H2xv | 58.76 (10) | H2xliii—H2—H3 | 76.051 (5) |
O2xii—K2—H2xvi | 115.26 (11) | H2xliii—H2—H3v | 27.905 (2) |
O2xii—K2—H3 | 39.83 (4) | H2xliii—H2—H3vi | 116.849 (4) |
O2xii—K2—H5xviii | 39.83 (4) | H2xliii—H2—H5xlv | 140.299 (5) |
H2—K2—H2xv | 117.81 (6) | H2xliv—H2—H3 | 76.641 (6) |
H2—K2—H2xvi | 117.81 (6) | H2xliv—H2—H3v | 116.710 (5) |
H2—K2—H3 | 98.59 (12) | H2xliv—H2—H3vi | 27.975 (3) |
H2—K2—H5xviii | 98.59 (12) | H2xliv—H2—H5xlv | 63.516 (5) |
H2xv—K2—H2xvi | 117.81 (6) | H3—H2—H3v | 89.877 (4) |
H2xv—K2—H3 | 98.59 (12) | H3—H2—H3vi | 90.450 (5) |
H2xv—K2—H5xviii | 98.59 (12) | H3—H2—H5xlv | 120.632 (4) |
H2xvi—K2—H3 | 98.59 (12) | H3v—H2—H3vi | 142.096 (5) |
H2xvi—K2—H5xviii | 98.59 (12) | H3v—H2—H5xlv | 146.419 (5) |
H3—K2—H5xviii | 0.0 (5) | H3vi—H2—H5xlv | 37.318 (3) |
K2—N2—O1 | 0.0 (5) | K2—H3—N2 | 0.0 (5) |
K2—N2—O2i | 73.67 (3) | K2—H3—O2x | 123.22 (4) |
K2—N2—O2iii | 73.68 (3) | K2—H3—O2xi | 123.22 (4) |
K2—N2—O2xxi | 73.68 (3) | K2—H3—O2xii | 123.22 (4) |
K2—N2—O2xxii | 73.67 (3) | K2—H3—H2 | 35.503 (3) |
K2—N2—O2xxiii | 73.68 (3) | K2—H3—H2xv | 35.503 (3) |
K2—N2—O2xxiv | 73.67 (3) | K2—H3—H2xvi | 35.5029 (18) |
K2—N2—O2x | 140.13 (3) | K2—H3—H2v | 100.7093 (7) |
K2—N2—O2xi | 140.13 (3) | K2—H3—H2vi | 100.7616 (9) |
K2—N2—O2xii | 140.13 (3) | K2—H3—H2xlvi | 100.7093 (11) |
K2—N2—H2 | 81.2158 (10) | K2—H3—H2xliii | 100.7616 (8) |
K2—N2—H2xv | 81.2158 (9) | K2—H3—H2xlvii | 100.7616 (13) |
K2—N2—H2xvi | 81.2158 (6) | K2—H3—H2xliv | 100.7093 (12) |
K2—N2—H3 | 180.0 (5) | K2—H3—H4 | 165.9343 (16) |
K2—N2—H5xviii | 180.0 (5) | K2—H3—H4xv | 165.9343 (14) |
O1—N2—H2 | 81.2158 (10) | K2—H3—H4xvi | 165.9343 (9) |
O1—N2—H2xv | 81.2158 (9) | K2—H3—H5xviii | 180.0 (5) |
O1—N2—H2xvi | 81.2158 (6) | N2—H3—O2x | 123.22 (4) |
O1—N2—H3 | 180.0 (5) | N2—H3—O2xi | 123.22 (4) |
O1—N2—H5xviii | 180.0 (5) | N2—H3—O2xii | 123.22 (4) |
O2i—N2—H2 | 136.92 (3) | N2—H3—H2 | 35.503 (3) |
O2i—N2—H2xv | 25.17 (3) | N2—H3—H2xv | 35.503 (3) |
O2i—N2—H2xvi | 92.63 (3) | N2—H3—H2xvi | 35.5029 (18) |
O2i—N2—H3 | 106.33 (3) | N2—H3—H2v | 100.7093 (7) |
O2i—N2—H5xviii | 106.33 (3) | N2—H3—H2vi | 100.7616 (9) |
O2iii—N2—H2 | 24.20 (3) | N2—H3—H2xlvi | 100.7093 (11) |
O2iii—N2—H2xv | 136.09 (3) | N2—H3—H2xliii | 100.7616 (8) |
O2iii—N2—H2xvi | 93.61 (3) | N2—H3—H2xlvii | 100.7616 (13) |
O2iii—N2—H3 | 106.32 (3) | N2—H3—H2xliv | 100.7093 (12) |
O2iii—N2—H5xviii | 106.32 (3) | N2—H3—H4 | 165.9343 (16) |
O2xxi—N2—O2xxiii | 112.43 (5) | N2—H3—H4xv | 165.9343 (14) |
O2xxi—N2—O2xxiv | 68.48 (5) | N2—H3—H4xvi | 165.9343 (9) |
O2xxi—N2—O2xi | 106.21 (5) | N2—H3—H5xviii | 180.0 (5) |
O2xxi—N2—O2xii | 69.76 (5) | O2x—H3—O2xi | 92.86 (6) |
O2xxi—N2—H2 | 93.61 (4) | O2x—H3—O2xii | 92.86 (6) |
O2xxi—N2—H2xv | 24.20 (3) | O2x—H3—H2 | 133.26 (3) |
O2xxi—N2—H2xvi | 136.09 (4) | O2x—H3—H2xv | 133.83 (3) |
O2xxi—N2—H3 | 106.32 (3) | O2x—H3—H2xvi | 87.72 (4) |
O2xxi—N2—H5xviii | 106.32 (3) | O2x—H3—H2v | 133.99 (4) |
O2xxii—N2—O2xxiii | 46.15 (4) | O2x—H3—H2vi | 47.51 (3) |
O2xxii—N2—O2xxiv | 112.42 (5) | O2x—H3—H2xlvi | 47.42 (3) |
O2xxii—N2—O2x | 69.79 (4) | O2x—H3—H2xliii | 133.98 (4) |
O2xxii—N2—O2xi | 106.18 (4) | O2x—H3—H2xlvii | 70.98 (3) |
O2xxii—N2—H2 | 92.63 (3) | O2x—H3—H2xliv | 71.13 (3) |
O2xxii—N2—H2xv | 136.92 (3) | O2x—H3—H4 | 64.68 (4) |
O2xxii—N2—H2xvi | 25.17 (3) | O2x—H3—H4xv | 64.41 (4) |
O2xxii—N2—H3 | 106.33 (3) | O2x—H3—H4xvi | 42.72 (4) |
O2xxii—N2—H5xviii | 106.33 (3) | O2x—H3—H5xviii | 56.78 (4) |
O2xxiii—N2—O2x | 69.76 (4) | O2xi—H3—O2xii | 92.86 (5) |
O2xxiii—N2—O2xii | 106.21 (4) | O2xi—H3—H2 | 87.72 (4) |
O2xxiii—N2—H2 | 136.09 (3) | O2xi—H3—H2xv | 133.26 (5) |
O2xxiii—N2—H2xv | 93.61 (3) | O2xi—H3—H2xvi | 133.83 (3) |
O2xxiii—N2—H2xvi | 24.20 (3) | O2xi—H3—H2v | 71.13 (5) |
O2xxiii—N2—H3 | 106.32 (3) | O2xi—H3—H2vi | 70.98 (5) |
O2xxiii—N2—H5xviii | 106.32 (3) | O2xi—H3—H2xlvi | 133.99 (4) |
O2xxiv—N2—O2xi | 69.79 (5) | O2xi—H3—H2xliii | 47.51 (5) |
O2xxiv—N2—O2xii | 106.18 (5) | O2xi—H3—H2xlvii | 133.98 (3) |
O2xxiv—N2—H2 | 25.17 (3) | O2xi—H3—H2xliv | 47.42 (4) |
O2xxiv—N2—H2xv | 92.63 (4) | O2xi—H3—H4 | 42.72 (4) |
O2xxiv—N2—H2xvi | 136.92 (4) | O2xi—H3—H4xv | 64.68 (3) |
O2xxiv—N2—H3 | 106.33 (3) | O2xi—H3—H4xvi | 64.41 (4) |
O2xxiv—N2—H5xviii | 106.33 (3) | O2xi—H3—H5xviii | 56.78 (4) |
O2x—N2—H2 | 115.42 (2) | O2xii—H3—H2 | 133.83 (5) |
O2x—N2—H2xv | 116.01 (2) | O2xii—H3—H2xv | 87.72 (4) |
O2x—N2—H2xvi | 58.92 (3) | O2xii—H3—H2xvi | 133.26 (3) |
O2x—N2—H3 | 39.87 (3) | O2xii—H3—H2v | 47.42 (5) |
O2x—N2—H5xviii | 39.87 (3) | O2xii—H3—H2vi | 133.98 (4) |
O2xi—N2—H2 | 58.92 (3) | O2xii—H3—H2xlvi | 71.13 (4) |
O2xi—N2—H2xv | 115.42 (3) | O2xii—H3—H2xliii | 70.98 (4) |
O2xi—N2—H2xvi | 116.01 (4) | O2xii—H3—H2xlvii | 47.51 (4) |
O2xi—N2—H3 | 39.87 (3) | O2xii—H3—H2xliv | 133.99 (3) |
O2xi—N2—H5xviii | 39.87 (3) | O2xii—H3—H4 | 64.41 (3) |
O2xii—N2—H2 | 116.01 (3) | O2xii—H3—H4xv | 42.72 (4) |
O2xii—N2—H2xv | 58.92 (3) | O2xii—H3—H4xvi | 64.68 (4) |
O2xii—N2—H2xvi | 115.42 (4) | O2xii—H3—H5xviii | 56.78 (4) |
O2xii—N2—H3 | 39.87 (3) | H2—H3—H2xv | 60.389 (6) |
O2xii—N2—H5xviii | 39.87 (3) | H2—H3—H2xvi | 60.389 (4) |
H2—N2—H2xv | 117.711 (7) | H2—H3—H2v | 90.123 (4) |
H2—N2—H2xvi | 117.711 (6) | H2—H3—H2vi | 89.550 (5) |
H2—N2—H3 | 98.7842 (10) | H2—H3—H2xlvi | 134.656 (2) |
H2—N2—H5xviii | 98.7842 (10) | H2—H3—H2xliii | 75.974 (4) |
H2xv—N2—H2xvi | 117.711 (7) | H2—H3—H2xlvii | 134.930 (2) |
H2xv—N2—H3 | 98.7842 (9) | H2—H3—H2xliv | 75.454 (5) |
H2xv—N2—H5xviii | 98.7842 (9) | H2—H3—H4 | 130.434 (5) |
H2xvi—N2—H3 | 98.7842 (6) | H2—H3—H4xv | 149.626 (2) |
H2xvi—N2—H5xviii | 98.7842 (6) | H2—H3—H4xvi | 149.062 (3) |
H3—N2—H5xviii | 0.0 (5) | H2—H3—H5xviii | 144.497 (3) |
O1—S1—O2xxv | 107.80 (6) | H2xv—H3—H2xvi | 60.389 (4) |
O1—S1—O2xxvi | 107.80 (6) | H2xv—H3—H2v | 75.454 (4) |
O1—S1—O2xxvii | 107.80 (6) | H2xv—H3—H2vi | 134.930 (2) |
O1—S1—H1xxviii | 45.456 (9) | H2xv—H3—H2xlvi | 90.123 (5) |
O1—S1—H1xxix | 45.456 (9) | H2xv—H3—H2xliii | 89.550 (4) |
O1—S1—H1xxx | 45.456 (9) | H2xv—H3—H2xlvii | 75.974 (5) |
O1—S1—H2xxxi | 115.027 (10) | H2xv—H3—H2xliv | 134.6559 (19) |
O1—S1—H2xxxii | 115.027 (9) | H2xv—H3—H4 | 149.062 (2) |
O1—S1—H2xxxiii | 115.027 (9) | H2xv—H3—H4xv | 130.434 (4) |
O1—S1—H4xxxiv | 64.937 (9) | H2xv—H3—H4xvi | 149.626 (3) |
O1—S1—H4xxxv | 64.937 (9) | H2xv—H3—H5xviii | 144.497 (3) |
O1—S1—H4xxxvi | 64.937 (9) | H2xvi—H3—H2v | 134.6559 (15) |
O2xxv—S1—O2xxvi | 111.09 (9) | H2xvi—H3—H2vi | 75.974 (3) |
O2xxv—S1—O2xxvii | 111.09 (9) | H2xvi—H3—H2xlvi | 75.454 (3) |
O2xxv—S1—H1xxviii | 82.85 (5) | H2xvi—H3—H2xliii | 134.9298 (14) |
O2xxv—S1—H1xxix | 82.80 (5) | H2xvi—H3—H2xlvii | 89.550 (4) |
O2xxv—S1—H1xxx | 153.25 (6) | H2xvi—H3—H2xliv | 90.123 (4) |
O2xxv—S1—H2xxxi | 55.78 (4) | H2xvi—H3—H4 | 149.626 (2) |
O2xxv—S1—H2xxxii | 56.02 (4) | H2xvi—H3—H4xv | 149.062 (2) |
O2xxv—S1—H2xxxiii | 137.18 (6) | H2xvi—H3—H4xvi | 130.434 (3) |
O2xxv—S1—H4xxxiv | 123.89 (4) | H2xvi—H3—H5xviii | 144.4971 (18) |
O2xxv—S1—H4xxxv | 124.32 (4) | H2v—H3—H2vi | 142.096 (5) |
O2xxv—S1—H4xxxvi | 42.86 (6) | H2v—H3—H2xlvi | 116.628 (6) |
O2xxvi—S1—O2xxvii | 111.09 (9) | H2v—H3—H2xliii | 28.068 (5) |
O2xxvi—S1—H1xxviii | 153.25 (6) | H2v—H3—H2xlvii | 89.384 (7) |
O2xxvi—S1—H1xxix | 82.85 (6) | H2v—H3—H2xliv | 116.628 (6) |
O2xxvi—S1—H1xxx | 82.80 (7) | H2v—H3—H4 | 75.6768 (18) |
O2xxvi—S1—H2xxxi | 137.18 (6) | H2v—H3—H4xv | 69.8089 (13) |
O2xxvi—S1—H2xxxii | 55.78 (8) | H2v—H3—H4xvi | 92.9681 (16) |
O2xxvi—S1—H2xxxiii | 56.02 (7) | H2v—H3—H5xviii | 79.2907 (7) |
O2xxvi—S1—H4xxxiv | 42.86 (6) | H2vi—H3—H2xlvi | 89.384 (8) |
O2xxvi—S1—H4xxxv | 123.89 (8) | H2vi—H3—H2xliii | 116.596 (7) |
O2xxvi—S1—H4xxxvi | 124.32 (7) | H2vi—H3—H2xlvii | 116.596 (7) |
O2xxvii—S1—H1xxviii | 82.80 (6) | H2vi—H3—H2xliv | 28.068 (5) |
O2xxvii—S1—H1xxix | 153.25 (6) | H2vi—H3—H4 | 75.9189 (17) |
O2xxvii—S1—H1xxx | 82.85 (7) | H2vi—H3—H4xv | 92.843 (2) |
O2xxvii—S1—H2xxxi | 56.02 (7) | H2vi—H3—H4xvi | 69.5324 (14) |
O2xxvii—S1—H2xxxii | 137.18 (6) | H2vi—H3—H5xviii | 79.2384 (9) |
O2xxvii—S1—H2xxxiii | 55.78 (7) | H2xlvi—H3—H2xliii | 142.096 (5) |
O2xxvii—S1—H4xxxiv | 124.32 (7) | H2xlvi—H3—H2xlvii | 28.068 (5) |
O2xxvii—S1—H4xxxv | 42.86 (6) | H2xlvi—H3—H2xliv | 116.628 (7) |
O2xxvii—S1—H4xxxvi | 123.89 (7) | H2xlvi—H3—H4 | 92.968 (3) |
H1xxviii—S1—H1xxix | 76.227 (15) | H2xlvi—H3—H4xv | 75.6768 (17) |
H1xxviii—S1—H1xxx | 76.227 (14) | H2xlvi—H3—H4xvi | 69.8089 (15) |
H1xxviii—S1—H2xxxi | 69.572 (6) | H2xlvi—H3—H5xviii | 79.2907 (11) |
H1xxviii—S1—H2xxxii | 128.418 (7) | H2xliii—H3—H2xlvii | 116.596 (7) |
H1xxviii—S1—H2xxxiii | 128.162 (8) | H2xliii—H3—H2xliv | 89.384 (7) |
H1xxviii—S1—H4xxxiv | 110.393 (18) | H2xliii—H3—H4 | 69.5324 (13) |
H1xxviii—S1—H4xxxv | 51.821 (7) | H2xliii—H3—H4xv | 75.919 (2) |
H1xxviii—S1—H4xxxvi | 51.555 (7) | H2xliii—H3—H4xvi | 92.8430 (16) |
H1xxix—S1—H1xxx | 76.227 (14) | H2xliii—H3—H5xviii | 79.2384 (8) |
H1xxix—S1—H2xxxi | 128.162 (7) | H2xlvii—H3—H2xliv | 142.096 (5) |
H1xxix—S1—H2xxxii | 69.572 (5) | H2xlvii—H3—H4 | 92.843 (3) |
H1xxix—S1—H2xxxiii | 128.418 (8) | H2xlvii—H3—H4xv | 69.5324 (12) |
H1xxix—S1—H4xxxiv | 51.555 (7) | H2xlvii—H3—H4xvi | 75.919 (2) |
H1xxix—S1—H4xxxv | 110.393 (18) | H2xlvii—H3—H5xviii | 79.2384 (13) |
H1xxix—S1—H4xxxvi | 51.821 (7) | H2xliv—H3—H4 | 69.8089 (14) |
H1xxx—S1—H2xxxi | 128.418 (8) | H2xliv—H3—H4xv | 92.968 (3) |
H1xxx—S1—H2xxxii | 128.162 (8) | H2xliv—H3—H4xvi | 75.677 (2) |
H1xxx—S1—H2xxxiii | 69.572 (3) | H2xliv—H3—H5xviii | 79.2907 (12) |
H1xxx—S1—H4xxxiv | 51.821 (7) | H4—H3—H4xv | 24.300 (3) |
H1xxx—S1—H4xxxv | 51.555 (8) | H4—H3—H4xvi | 24.300 (2) |
H1xxx—S1—H4xxxvi | 110.393 (18) | H4—H3—H5xviii | 14.0657 (16) |
H2xxxi—S1—H2xxxii | 103.388 (13) | H4xv—H3—H4xvi | 24.3002 (19) |
H2xxxi—S1—H2xxxiii | 103.388 (12) | H4xv—H3—H5xviii | 14.0657 (14) |
H2xxxi—S1—H4xxxiv | 179.666 (5) | H4xvi—H3—H5xviii | 14.0657 (9) |
H2xxxi—S1—H4xxxv | 76.901 (7) | K1—H4—N1 | 0.0 (5) |
H2xxxi—S1—H4xxxvi | 76.366 (5) | K1—H4—S1iii | 174.966 (9) |
H2xxxii—S1—H2xxxiii | 103.388 (12) | K1—H4—O1iii | 143.74 (6) |
H2xxxii—S1—H4xxxiv | 76.366 (7) | K1—H4—O1v | 100.27 (3) |
H2xxxii—S1—H4xxxv | 179.666 (5) | K1—H4—O1vi | 99.14 (3) |
H2xxxii—S1—H4xxxvi | 76.901 (5) | K1—H4—O2vii | 70.27 (3) |
H2xxxiii—S1—H4xxxiv | 76.901 (6) | K1—H4—O2ix | 69.63 (2) |
H2xxxiii—S1—H4xxxv | 76.366 (5) | K1—H4—O2x | 76.65 (3) |
H2xxxiii—S1—H4xxxvi | 179.666 (5) | K1—H4—O2xi | 156.63 (5) |
H4xxxiv—S1—H4xxxv | 103.346 (13) | K1—H4—O2xii | 77.31 (3) |
H4xxxiv—S1—H4xxxvi | 103.346 (12) | K1—H4—H1xiii | 74.100 (6) |
H4xxxv—S1—H4xxxvi | 103.346 (12) | K1—H4—H1 | 73.052 (6) |
K1xxxiv—O1—K1xxviii | 119.817 (10) | K1—H4—H1xv | 125.021 (5) |
K1xxxiv—O1—K1xlv | 119.817 (10) | K1—H4—H1xvii | 123.982 (6) |
K1xxxiv—O1—N1xxxiv | 0.0 (5) | K1—H4—H3 | 105.976 (5) |
K1xxxiv—O1—N1xxviii | 119.817 (10) | K1—H4—H4xv | 41.437 (5) |
K1xxxiv—O1—N1xlv | 119.817 (10) | K1—H4—H4xvi | 41.437 (5) |
K1xxxiv—O1—K2 | 87.54 (5) | K1—H4—H4xviii | 0.0 (5) |
K1xxxiv—O1—N2 | 87.54 (5) | K1—H4—H4xix | 48.563 (5) |
K1xxxiv—O1—S1 | 92.46 (5) | K1—H4—H4xx | 48.563 (4) |
K1xxxiv—O1—O1xxxvii | 59.908 (8) | K1—H4—H5 | 36.8766 (5) |
K1xxxiv—O1—O1x | 59.908 (7) | K1—H4—H5xviii | 79.997 (6) |
K1xxxiv—O1—O1xxxi | 172.62 (10) | N1—H4—S1iii | 174.966 (9) |
K1xxxiv—O1—O2xxv | 108.85 (6) | N1—H4—O1iii | 143.74 (6) |
K1xxxiv—O1—O2xxvi | 57.21 (4) | N1—H4—O1v | 100.27 (3) |
K1xxxiv—O1—O2xxvii | 108.90 (6) | N1—H4—O1vi | 99.14 (3) |
K1xxxiv—O1—H1xxviii | 172.62 (14) | N1—H4—O2vii | 70.27 (3) |
K1xxxiv—O1—H1xxix | 59.908 (8) | N1—H4—O2ix | 69.63 (2) |
K1xxxiv—O1—H1xxx | 59.908 (7) | N1—H4—O2x | 76.65 (3) |
K1xxxiv—O1—H2 | 103.74 (6) | N1—H4—O2xi | 156.63 (5) |
K1xxxiv—O1—H2xv | 79.72 (4) | N1—H4—O2xii | 77.31 (3) |
K1xxxiv—O1—H2xvi | 79.46 (4) | N1—H4—H1xiii | 74.100 (6) |
K1xxxiv—O1—H4xxxiv | 8.676 (12) | N1—H4—H1 | 73.052 (6) |
K1xxxiv—O1—H4xxxv | 119.898 (9) | N1—H4—H1xv | 125.021 (5) |
K1xxxiv—O1—H4xxxvi | 120.269 (9) | N1—H4—H1xvii | 123.982 (6) |
K1xxxiv—O1—H4v | 107.094 (16) | N1—H4—H3 | 105.976 (5) |
K1xxxiv—O1—H4vi | 107.004 (16) | N1—H4—H4xv | 41.437 (5) |
K1xxxiv—O1—H4xlvi | 14.535 (4) | N1—H4—H4xvi | 41.437 (5) |
K1xxxiv—O1—H4xliii | 130.66 (2) | N1—H4—H4xviii | 0.0 (5) |
K1xxxiv—O1—H4xlvii | 14.585 (4) | N1—H4—H4xix | 48.563 (5) |
K1xxxiv—O1—H4xliv | 130.56 (2) | N1—H4—H4xx | 48.563 (4) |
K1xxviii—O1—K1xlv | 119.817 (10) | N1—H4—H5 | 36.8766 (5) |
K1xxviii—O1—N1xxxiv | 119.817 (10) | N1—H4—H5xviii | 79.997 (6) |
K1xxviii—O1—N1xxviii | 0.0 (5) | S1iii—H4—O1iii | 31.27 (6) |
K1xxviii—O1—N1xlv | 119.817 (10) | S1iii—H4—O1v | 78.90 (2) |
K1xxviii—O1—K2 | 87.54 (5) | S1iii—H4—O1vi | 78.63 (2) |
K1xxviii—O1—N2 | 87.54 (5) | S1iii—H4—O2vii | 106.13 (3) |
K1xxviii—O1—S1 | 92.46 (5) | S1iii—H4—O2ix | 105.92 (2) |
K1xxviii—O1—O1xxxvii | 59.908 (8) | S1iii—H4—O2x | 106.88 (3) |
K1xxviii—O1—O1x | 172.62 (10) | S1iii—H4—O2xi | 28.34 (5) |
K1xxviii—O1—O1xxxi | 59.908 (7) | S1iii—H4—O2xii | 107.11 (3) |
K1xxviii—O1—O2xxv | 57.21 (4) | S1iii—H4—H1xiii | 106.574 (7) |
K1xxviii—O1—O2xxvi | 108.90 (7) | S1iii—H4—H1 | 106.146 (7) |
K1xxviii—O1—O2xxvii | 108.85 (7) | S1iii—H4—H1xv | 52.357 (8) |
K1xxviii—O1—H1xxviii | 59.908 (7) | S1iii—H4—H1xvii | 52.292 (8) |
K1xxviii—O1—H1xxix | 59.908 (8) | S1iii—H4—H3 | 79.001 (10) |
K1xxviii—O1—H1xxx | 172.62 (14) | S1iii—H4—H4xv | 142.286 (7) |
K1xxviii—O1—H2 | 79.72 (4) | S1iii—H4—H4xvi | 141.053 (7) |
K1xxviii—O1—H2xv | 79.46 (4) | S1iii—H4—H4xviii | 174.965 (9) |
K1xxviii—O1—H2xvi | 103.74 (6) | S1iii—H4—H4xix | 127.523 (8) |
K1xxviii—O1—H4xxxiv | 119.898 (9) | S1iii—H4—H4xx | 128.624 (7) |
K1xxviii—O1—H4xxxv | 120.269 (9) | S1iii—H4—H5 | 138.142 (9) |
K1xxviii—O1—H4xxxvi | 8.676 (12) | S1iii—H4—H5xviii | 104.978 (11) |
K1xxviii—O1—H4v | 14.535 (4) | O1iii—H4—O1v | 71.495 (12) |
K1xxviii—O1—H4vi | 130.66 (2) | O1iii—H4—O1vi | 71.228 (12) |
K1xxviii—O1—H4xlvi | 130.56 (2) | O1iii—H4—O2vii | 80.31 (5) |
K1xxviii—O1—H4xliii | 14.585 (4) | O1iii—H4—O2ix | 80.16 (5) |
K1xxviii—O1—H4xlvii | 107.004 (16) | O1iii—H4—O2x | 129.91 (4) |
K1xxviii—O1—H4xliv | 107.094 (16) | O1iii—H4—O2xi | 59.61 (7) |
K1xlv—O1—N1xxxiv | 119.817 (10) | O1iii—H4—O2xii | 130.31 (5) |
K1xlv—O1—N1xxviii | 119.817 (10) | O1iii—H4—H1xiii | 103.398 (13) |
K1xlv—O1—N1xlv | 0.0 (5) | O1iii—H4—H1 | 102.961 (12) |
K1xlv—O1—K2 | 87.54 (5) | O1iii—H4—H1xv | 39.121 (11) |
K1xlv—O1—N2 | 87.54 (5) | O1iii—H4—H1xvii | 39.075 (11) |
K1xlv—O1—S1 | 92.46 (5) | O1iii—H4—H3 | 110.27 (6) |
K1xlv—O1—O1xxxvii | 172.62 (10) | O1iii—H4—H4xv | 150.247 (12) |
K1xlv—O1—O1x | 59.908 (8) | O1iii—H4—H4xvi | 148.597 (12) |
K1xlv—O1—O1xxxi | 59.908 (8) | O1iii—H4—H4xviii | 143.74 (6) |
K1xlv—O1—O2xxv | 108.90 (6) | O1iii—H4—H4xix | 103.59 (5) |
K1xlv—O1—O2xxvi | 108.85 (6) | O1iii—H4—H4xx | 104.57 (5) |
K1xlv—O1—O2xxvii | 57.21 (4) | O1iii—H4—H5 | 106.87 (6) |
K1xlv—O1—H1xxviii | 59.908 (8) | O1iii—H4—H5xviii | 136.25 (6) |
K1xlv—O1—H1xxix | 172.62 (14) | O1v—H4—O1vi | 138.61 (3) |
K1xlv—O1—H1xxx | 59.908 (8) | O1v—H4—O2vii | 45.65 (6) |
K1xlv—O1—H2 | 79.46 (4) | O1v—H4—O2ix | 110.42 (6) |
K1xlv—O1—H2xv | 103.74 (6) | O1v—H4—O2x | 145.68 (4) |
K1xlv—O1—H2xvi | 79.72 (4) | O1v—H4—O2xi | 88.44 (7) |
K1xlv—O1—H4xxxiv | 120.269 (9) | O1v—H4—O2xii | 74.97 (5) |
K1xlv—O1—H4xxxv | 8.676 (12) | O1v—H4—H1xiii | 31.912 (6) |
K1xlv—O1—H4xxxvi | 119.898 (9) | O1v—H4—H1 | 160.88 (5) |
K1xlv—O1—H4v | 130.56 (2) | O1v—H4—H1xv | 32.375 (6) |
K1xlv—O1—H4vi | 14.585 (4) | O1v—H4—H1xvii | 108.727 (14) |
K1xlv—O1—H4xlvi | 107.094 (16) | O1v—H4—H3 | 104.80 (5) |
K1xlv—O1—H4xliii | 107.004 (16) | O1v—H4—H4xv | 78.765 (7) |
K1xlv—O1—H4xlvii | 130.66 (2) | O1v—H4—H4xvi | 137.457 (12) |
K1xlv—O1—H4xliv | 14.535 (4) | O1v—H4—H4xviii | 100.27 (3) |
N1xxxiv—O1—N1xxviii | 119.817 (10) | O1v—H4—H4xix | 119.34 (5) |
N1xxxiv—O1—N1xlv | 119.817 (10) | O1v—H4—H4xx | 55.58 (4) |
N1xxxiv—O1—K2 | 87.54 (5) | O1v—H4—H5 | 87.28 (5) |
N1xxxiv—O1—N2 | 87.54 (5) | O1v—H4—H5xviii | 110.06 (4) |
N1xxxiv—O1—S1 | 92.46 (5) | O1vi—H4—O2vii | 110.22 (5) |
N1xxxiv—O1—O1xxxvii | 59.908 (8) | O1vi—H4—O2ix | 45.45 (6) |
N1xxxiv—O1—O1x | 59.908 (7) | O1vi—H4—O2x | 74.63 (4) |
N1xxxiv—O1—O1xxxi | 172.62 (10) | O1vi—H4—O2xi | 87.95 (6) |
N1xxxiv—O1—O2xxv | 108.85 (6) | O1vi—H4—O2xii | 145.34 (5) |
N1xxxiv—O1—O2xxvi | 57.21 (4) | O1vi—H4—H1xiii | 160.92 (5) |
N1xxxiv—O1—O2xxvii | 108.90 (6) | O1vi—H4—H1 | 31.740 (6) |
N1xxxiv—O1—H1xxviii | 172.62 (14) | O1vi—H4—H1xv | 108.509 (15) |
N1xxxiv—O1—H1xxix | 59.908 (8) | O1vi—H4—H1xvii | 32.153 (6) |
N1xxxiv—O1—H1xxx | 59.908 (7) | O1vi—H4—H3 | 104.42 (5) |
N1xxxiv—O1—H2 | 103.74 (6) | O1vi—H4—H4xv | 136.107 (11) |
N1xxxiv—O1—H2xv | 79.72 (4) | O1vi—H4—H4xvi | 77.375 (8) |
N1xxxiv—O1—H2xvi | 79.46 (4) | O1vi—H4—H4xviii | 99.14 (3) |
N1xxxiv—O1—H4xxxiv | 8.676 (12) | O1vi—H4—H4xix | 54.80 (4) |
N1xxxiv—O1—H4xxxv | 119.898 (9) | O1vi—H4—H4xx | 119.18 (5) |
N1xxxiv—O1—H4xxxvi | 120.269 (9) | O1vi—H4—H5 | 86.81 (5) |
N1xxxiv—O1—H4v | 107.094 (16) | O1vi—H4—H5xviii | 109.11 (4) |
N1xxxiv—O1—H4vi | 107.004 (16) | O2vii—H4—O2ix | 68.10 (5) |
N1xxxiv—O1—H4xlvi | 14.535 (4) | O2vii—H4—O2x | 146.92 (4) |
N1xxxiv—O1—H4xliii | 130.66 (2) | O2vii—H4—O2xi | 128.11 (7) |
N1xxxiv—O1—H4xlvii | 14.585 (4) | O2vii—H4—O2xii | 101.05 (4) |
N1xxxiv—O1—H4xliv | 130.56 (2) | O2vii—H4—H1xiii | 50.78 (2) |
N1xxviii—O1—N1xlv | 119.817 (10) | O2vii—H4—H1 | 116.01 (3) |
N1xxviii—O1—K2 | 87.54 (5) | O2vii—H4—H1xv | 55.93 (3) |
N1xxviii—O1—N2 | 87.54 (5) | O2vii—H4—H1xvii | 97.78 (2) |
N1xxviii—O1—S1 | 92.46 (5) | O2vii—H4—H3 | 145.34 (3) |
N1xxviii—O1—O1xxxvii | 59.908 (8) | O2vii—H4—H4xv | 78.32 (2) |
N1xxviii—O1—O1x | 172.62 (10) | O2vii—H4—H4xvi | 110.76 (3) |
N1xxviii—O1—O1xxxi | 59.908 (7) | O2vii—H4—H4xviii | 70.27 (3) |
N1xxviii—O1—O2xxv | 57.21 (4) | O2vii—H4—H4xix | 73.70 (3) |
N1xxviii—O1—O2xxvi | 108.90 (7) | O2vii—H4—H4xx | 24.28 (2) |
N1xxviii—O1—O2xxvii | 108.85 (7) | O2vii—H4—H5 | 43.50 (3) |
N1xxviii—O1—H1xxviii | 59.908 (7) | O2vii—H4—H5xviii | 133.53 (2) |
N1xxviii—O1—H1xxix | 59.908 (8) | O2ix—H4—O2x | 100.58 (5) |
N1xxviii—O1—H1xxx | 172.62 (14) | O2ix—H4—O2xi | 127.62 (4) |
N1xxviii—O1—H2 | 79.72 (4) | O2ix—H4—O2xii | 146.94 (3) |
N1xxviii—O1—H2xv | 79.46 (4) | O2ix—H4—H1xiii | 116.22 (3) |
N1xxviii—O1—H2xvi | 103.74 (6) | O2ix—H4—H1 | 50.52 (4) |
N1xxviii—O1—H4xxxiv | 119.898 (9) | O2ix—H4—H1xv | 97.80 (3) |
N1xxviii—O1—H4xxxv | 120.269 (9) | O2ix—H4—H1xvii | 55.73 (2) |
N1xxviii—O1—H4xxxvi | 8.676 (12) | O2ix—H4—H3 | 144.74 (4) |
N1xxviii—O1—H4v | 14.535 (4) | O2ix—H4—H4xv | 110.21 (2) |
N1xxviii—O1—H4vi | 130.66 (2) | O2ix—H4—H4xvi | 77.44 (3) |
N1xxviii—O1—H4xlvi | 130.56 (2) | O2ix—H4—H4xviii | 69.63 (2) |
N1xxviii—O1—H4xliii | 14.585 (4) | O2ix—H4—H4xix | 23.45 (3) |
N1xxviii—O1—H4xlvii | 107.004 (16) | O2ix—H4—H4xx | 73.75 (3) |
N1xxviii—O1—H4xliv | 107.094 (16) | O2ix—H4—H5 | 43.25 (3) |
N1xlv—O1—K2 | 87.54 (5) | O2ix—H4—H5xviii | 132.67 (3) |
N1xlv—O1—N2 | 87.54 (5) | O2x—H4—O2xi | 83.93 (6) |
N1xlv—O1—S1 | 92.46 (5) | O2x—H4—O2xii | 71.00 (5) |
N1xlv—O1—O1xxxvii | 172.62 (10) | O2x—H4—H1xiii | 119.65 (2) |
N1xlv—O1—O1x | 59.908 (8) | O2x—H4—H1 | 51.52 (3) |
N1xlv—O1—O1xxxi | 59.908 (8) | O2x—H4—H1xv | 155.76 (3) |
N1xlv—O1—O2xxv | 108.90 (6) | O2x—H4—H1xvii | 100.61 (2) |
N1xlv—O1—O2xxvi | 108.85 (6) | O2x—H4—H3 | 46.33 (3) |
N1xlv—O1—O2xxvii | 57.21 (4) | O2x—H4—H4xv | 76.97 (2) |
N1xlv—O1—H1xxviii | 59.908 (8) | O2x—H4—H4xvi | 36.77 (3) |
N1xlv—O1—H1xxix | 172.62 (14) | O2x—H4—H4xviii | 76.65 (3) |
N1xlv—O1—H1xxx | 59.908 (8) | O2x—H4—H4xix | 84.63 (3) |
N1xlv—O1—H2 | 79.46 (4) | O2x—H4—H4xx | 123.95 (2) |
N1xlv—O1—H2xv | 103.74 (6) | O2x—H4—H5 | 106.62 (3) |
N1xlv—O1—H2xvi | 79.72 (4) | O2x—H4—H5xviii | 35.65 (3) |
N1xlv—O1—H4xxxiv | 120.269 (9) | O2xi—H4—O2xii | 84.20 (4) |
N1xlv—O1—H4xxxv | 8.676 (12) | O2xi—H4—H1xiii | 105.35 (5) |
N1xlv—O1—H4xxxvi | 119.898 (9) | O2xi—H4—H1 | 104.74 (5) |
N1xlv—O1—H4v | 130.56 (2) | O2xi—H4—H1xv | 72.32 (6) |
N1xlv—O1—H4vi | 14.585 (4) | O2xi—H4—H1xvii | 72.05 (4) |
N1xlv—O1—H4xlvi | 107.094 (16) | O2xi—H4—H3 | 50.66 (5) |
N1xlv—O1—H4xliii | 107.004 (16) | O2xi—H4—H4xv | 121.47 (4) |
N1xlv—O1—H4xlvii | 130.66 (2) | O2xi—H4—H4xvi | 120.70 (6) |
N1xlv—O1—H4xliv | 14.535 (4) | O2xi—H4—H4xviii | 156.63 (5) |
K2—O1—N2 | 0.0 (5) | O2xi—H4—H4xix | 142.72 (4) |
K2—O1—S1 | 180.0 (5) | O2xi—H4—H4xx | 143.98 (6) |
K2—O1—O1xxxvii | 85.08 (6) | O2xi—H4—H5 | 166.47 (5) |
K2—O1—O1x | 85.08 (6) | O2xi—H4—H5xviii | 76.64 (5) |
K2—O1—O1xxxi | 85.08 (6) | O2xii—H4—H1xiii | 51.74 (4) |
K2—O1—O2xxv | 144.74 (6) | O2xii—H4—H1 | 119.47 (4) |
K2—O1—O2xxvi | 144.74 (6) | O2xii—H4—H1xv | 101.11 (4) |
K2—O1—O2xxvii | 144.74 (6) | O2xii—H4—H1xvii | 155.68 (3) |
K2—O1—H1xxviii | 85.08 (9) | O2xii—H4—H3 | 46.40 (3) |
K2—O1—H1xxix | 85.08 (9) | O2xii—H4—H4xv | 37.27 (3) |
K2—O1—H1xxx | 85.08 (9) | O2xii—H4—H4xvi | 77.88 (4) |
K2—O1—H2 | 16.204 (14) | O2xii—H4—H4xviii | 77.31 (3) |
K2—O1—H2xv | 16.204 (14) | O2xii—H4—H4xix | 124.72 (3) |
K2—O1—H2xvi | 16.204 (14) | O2xii—H4—H4xx | 84.61 (3) |
K2—O1—H4xxxiv | 96.21 (6) | O2xii—H4—H5 | 107.01 (3) |
K2—O1—H4xxxv | 96.21 (6) | O2xii—H4—H5xviii | 36.25 (4) |
K2—O1—H4xxxvi | 96.21 (6) | H1xiii—H4—H1 | 147.152 (5) |
K2—O1—H4v | 79.34 (5) | H1xiii—H4—H1xv | 64.281 (7) |
K2—O1—H4vi | 79.39 (5) | H1xiii—H4—H1xvii | 139.413 (5) |
K2—O1—H4xlvi | 79.34 (5) | H1xiii—H4—H3 | 94.630 (2) |
K2—O1—H4xliii | 79.39 (5) | H1xiii—H4—H4xv | 46.855 (6) |
K2—O1—H4xlvii | 79.39 (5) | H1xiii—H4—H4xvi | 106.133 (8) |
K2—O1—H4xliv | 79.34 (5) | H1xiii—H4—H4xviii | 74.100 (6) |
N2—O1—S1 | 180.0 (5) | H1xiii—H4—H4xix | 111.144 (4) |
N2—O1—O1xxxvii | 85.08 (6) | H1xiii—H4—H4xx | 43.219 (3) |
N2—O1—O1x | 85.08 (6) | H1xiii—H4—H5 | 77.146 (3) |
N2—O1—O1xxxi | 85.08 (6) | H1xiii—H4—H5xviii | 87.585 (5) |
N2—O1—O2xxv | 144.74 (6) | H1—H4—H1xv | 139.050 (5) |
N2—O1—O2xxvi | 144.74 (6) | H1—H4—H1xvii | 63.889 (7) |
N2—O1—O2xxvii | 144.74 (6) | H1—H4—H3 | 94.2980 (17) |
N2—O1—H1xxviii | 85.08 (9) | H1—H4—H4xv | 104.914 (7) |
N2—O1—H1xxix | 85.08 (9) | H1—H4—H4xvi | 45.638 (6) |
N2—O1—H1xxx | 85.08 (9) | H1—H4—H4xviii | 73.052 (6) |
N2—O1—H2 | 16.204 (14) | H1—H4—H4xix | 42.9448 (18) |
N2—O1—H2xv | 16.204 (14) | H1—H4—H4xx | 110.584 (4) |
N2—O1—H2xvi | 16.204 (14) | H1—H4—H5 | 76.710 (3) |
N2—O1—H4xxxiv | 96.21 (6) | H1—H4—H5xviii | 86.787 (4) |
N2—O1—H4xxxv | 96.21 (6) | H1xv—H4—H1xvii | 77.013 (7) |
N2—O1—H4xxxvi | 96.21 (6) | H1xv—H4—H3 | 111.4482 (12) |
N2—O1—H4v | 79.34 (5) | H1xv—H4—H4xv | 111.136 (7) |
N2—O1—H4vi | 79.39 (5) | H1xv—H4—H4xvi | 166.446 (3) |
N2—O1—H4xlvi | 79.34 (5) | H1xv—H4—H4xviii | 125.021 (5) |
N2—O1—H4xliii | 79.39 (5) | H1xv—H4—H4xix | 117.303 (3) |
N2—O1—H4xlvii | 79.39 (5) | H1xv—H4—H4xx | 76.461 (5) |
N2—O1—H4xliv | 79.34 (5) | H1xv—H4—H5 | 97.598 (3) |
S1—O1—O1xxxvii | 94.92 (6) | H1xv—H4—H5xviii | 129.498 (4) |
S1—O1—O1x | 94.92 (6) | H1xvii—H4—H3 | 111.1332 (12) |
S1—O1—O1xxxi | 94.92 (6) | H1xvii—H4—H4xv | 165.408 (4) |
S1—O1—O2xxv | 35.26 (6) | H1xvii—H4—H4xvi | 109.527 (8) |
S1—O1—O2xxvi | 35.26 (6) | H1xvii—H4—H4xviii | 123.982 (6) |
S1—O1—O2xxvii | 35.26 (6) | H1xvii—H4—H4xix | 75.422 (5) |
S1—O1—H1xxviii | 94.92 (9) | H1xvii—H4—H4xx | 117.771 (4) |
S1—O1—H1xxix | 94.92 (9) | H1xvii—H4—H5 | 97.241 (4) |
S1—O1—H1xxx | 94.92 (9) | H1xvii—H4—H5xviii | 128.608 (4) |
S1—O1—H2 | 163.796 (14) | H3—H4—H4xv | 77.8499 (18) |
S1—O1—H2xv | 163.796 (14) | H3—H4—H4xvi | 77.8499 (17) |
S1—O1—H2xvi | 163.796 (14) | H3—H4—H4xviii | 105.976 (5) |
S1—O1—H4xxxiv | 83.79 (6) | H3—H4—H4xix | 130.868 (3) |
S1—O1—H4xxxv | 83.79 (6) | H3—H4—H4xx | 130.868 (5) |
S1—O1—H4xxxvi | 83.79 (6) | H3—H4—H5 | 142.852 (4) |
S1—O1—H4v | 100.66 (5) | H3—H4—H5xviii | 25.9788 (17) |
S1—O1—H4vi | 100.61 (5) | H4xv—H4—H4xvi | 60.000 (7) |
S1—O1—H4xlvi | 100.66 (5) | H4xv—H4—H4xviii | 41.437 (5) |
S1—O1—H4xliii | 100.61 (5) | H4xv—H4—H4xix | 90.000 (5) |
S1—O1—H4xlvii | 100.61 (5) | H4xv—H4—H4xx | 55.500 (4) |
S1—O1—H4xliv | 100.66 (5) | H4xv—H4—H5 | 70.152 (3) |
O1xxxvii—O1—O1x | 119.273 (18) | H4xv—H4—H5xviii | 56.139 (4) |
O1xxxvii—O1—O1xxxi | 119.273 (18) | H4xvi—H4—H4xviii | 41.437 (5) |
O1xxxvii—O1—O2xxv | 77.41 (5) | H4xvi—H4—H4xix | 55.500 (3) |
O1xxxvii—O1—O2xxvi | 77.46 (6) | H4xvi—H4—H4xx | 90.000 (5) |
O1xxxvii—O1—O2xxvii | 130.17 (10) | H4xvi—H4—H5 | 70.152 (3) |
O1xxxvii—O1—H1xxviii | 119.27 (2) | H4xvi—H4—H5xviii | 56.139 (4) |
O1xxxvii—O1—H1xxix | 0.0 (5) | H4xviii—H4—H4xix | 48.563 (5) |
O1xxxvii—O1—H1xxx | 119.27 (2) | H4xviii—H4—H4xx | 48.563 (4) |
O1xxxvii—O1—H2 | 93.38 (7) | H4xviii—H4—H5 | 36.8766 (5) |
O1xxxvii—O1—H2xv | 68.88 (6) | H4xviii—H4—H5xviii | 79.997 (6) |
O1xxxvii—O1—H2xvi | 93.12 (7) | H4xix—H4—H4xx | 69.000 (4) |
O1xxxvii—O1—H4xxxiv | 60.742 (11) | H4xix—H4—H5 | 34.501 (3) |
O1xxxvii—O1—H4xxxv | 178.69 (11) | H4xix—H4—H5xviii | 111.636 (5) |
O1xxxvii—O1—H4xxxvi | 61.108 (11) | H4xx—H4—H5 | 34.501 (3) |
O1xxxvii—O1—H4v | 47.763 (11) | H4xx—H4—H5xviii | 111.636 (7) |
O1xxxvii—O1—H4vi | 160.29 (8) | H5—H4—H5xviii | 116.873 (6) |
O1xxxvii—O1—H4xlvi | 71.523 (14) | K1—H5—N1 | 0.0 (5) |
O1xxxvii—O1—H4xliii | 71.621 (14) | K1—H5—K2xviii | 180.0 (5) |
O1xxxvii—O1—H4xlvii | 47.664 (11) | K1—H5—N2xviii | 180.0 (5) |
O1xxxvii—O1—H4xliv | 160.31 (8) | K1—H5—O2vii | 111.58 (4) |
O1x—O1—O1xxxi | 119.273 (18) | K1—H5—O2viii | 111.58 (4) |
O1x—O1—O2xxv | 130.17 (10) | K1—H5—O2ix | 111.58 (4) |
O1x—O1—O2xxvi | 77.41 (7) | K1—H5—H1xiii | 65.7147 (16) |
O1x—O1—O2xxvii | 77.46 (7) | K1—H5—H1 | 65.7147 (16) |
O1x—O1—H1xxviii | 119.27 (2) | K1—H5—H1xiv | 65.7147 (19) |
O1x—O1—H1xxix | 119.27 (2) | K1—H5—H1xv | 65.7147 (19) |
O1x—O1—H1xxx | 0.0 (5) | K1—H5—H1xvi | 65.715 (3) |
O1x—O1—H2 | 93.12 (7) | K1—H5—H1xvii | 65.715 (3) |
O1x—O1—H2xv | 93.38 (7) | K1—H5—H2i | 116.557 (2) |
O1x—O1—H2xvi | 68.88 (6) | K1—H5—H2xxii | 116.5565 (17) |
O1x—O1—H4xxxiv | 61.108 (10) | K1—H5—H2xxiv | 116.557 (3) |
O1x—O1—H4xxxv | 60.742 (11) | K1—H5—H3xviii | 180.0 (5) |
O1x—O1—H4xxxvi | 178.69 (11) | K1—H5—H4 | 23.082 (2) |
O1x—O1—H4v | 160.31 (8) | K1—H5—H4xv | 23.082 (2) |
O1x—O1—H4vi | 47.664 (11) | K1—H5—H4xvi | 23.0821 (14) |
O1x—O1—H4xlvi | 47.763 (11) | K1—H5—H4xviii | 40.044 (3) |
O1x—O1—H4xliii | 160.29 (8) | K1—H5—H4xix | 40.044 (3) |
O1x—O1—H4xlvii | 71.621 (14) | K1—H5—H4xx | 40.0445 (19) |
O1x—O1—H4xliv | 71.523 (14) | K1—H5—H5xviii | 0.0 (5) |
O1xxxi—O1—O2xxv | 77.46 (5) | N1—H5—K2xviii | 180.0 (5) |
O1xxxi—O1—O2xxvi | 130.17 (10) | N1—H5—N2xviii | 180.0 (5) |
O1xxxi—O1—O2xxvii | 77.41 (6) | N1—H5—O2vii | 111.58 (4) |
O1xxxi—O1—H1xxviii | 0.0 (5) | N1—H5—O2viii | 111.58 (4) |
O1xxxi—O1—H1xxix | 119.27 (2) | N1—H5—O2ix | 111.58 (4) |
O1xxxi—O1—H1xxx | 119.27 (2) | N1—H5—H1xiii | 65.7147 (16) |
O1xxxi—O1—H2 | 68.88 (6) | N1—H5—H1 | 65.7147 (16) |
O1xxxi—O1—H2xv | 93.12 (7) | N1—H5—H1xiv | 65.7147 (19) |
O1xxxi—O1—H2xvi | 93.38 (7) | N1—H5—H1xv | 65.7147 (19) |
O1xxxi—O1—H4xxxiv | 178.69 (11) | N1—H5—H1xvi | 65.715 (3) |
O1xxxi—O1—H4xxxv | 61.108 (11) | N1—H5—H1xvii | 65.715 (3) |
O1xxxi—O1—H4xxxvi | 60.742 (10) | N1—H5—H2i | 116.557 (2) |
O1xxxi—O1—H4v | 71.523 (14) | N1—H5—H2xxii | 116.5565 (17) |
O1xxxi—O1—H4vi | 71.621 (14) | N1—H5—H2xxiv | 116.557 (3) |
O1xxxi—O1—H4xlvi | 160.31 (8) | N1—H5—H3xviii | 180.0 (5) |
O1xxxi—O1—H4xliii | 47.664 (11) | N1—H5—H4 | 23.082 (2) |
O1xxxi—O1—H4xlvii | 160.29 (8) | N1—H5—H4xv | 23.082 (2) |
O1xxxi—O1—H4xliv | 47.763 (12) | N1—H5—H4xvi | 23.0821 (14) |
O2xxv—O1—O2xxvi | 59.99 (9) | N1—H5—H4xviii | 40.044 (3) |
O2xxv—O1—O2xxvii | 59.99 (9) | N1—H5—H4xix | 40.044 (3) |
O2xxv—O1—H1xxviii | 77.46 (7) | N1—H5—H4xx | 40.0445 (19) |
O2xxv—O1—H1xxix | 77.41 (7) | N1—H5—H5xviii | 0.0 (5) |
O2xxv—O1—H1xxx | 130.17 (13) | K2xviii—H5—N2xviii | 0.0 (5) |
O2xxv—O1—H2 | 134.83 (5) | K2xviii—H5—O2vii | 68.42 (4) |
O2xxv—O1—H2xv | 134.61 (5) | K2xviii—H5—O2viii | 68.42 (4) |
O2xxv—O1—H2xvi | 160.95 (7) | K2xviii—H5—O2ix | 68.42 (4) |
O2xxv—O1—H4xxxiv | 101.33 (7) | K2xviii—H5—H1xiii | 114.2853 (16) |
O2xxv—O1—H4xxxv | 101.57 (7) | K2xviii—H5—H1 | 114.2853 (16) |
O2xxv—O1—H4xxxvi | 48.53 (5) | K2xviii—H5—H1xiv | 114.2853 (19) |
O2xxv—O1—H4v | 66.19 (4) | K2xviii—H5—H1xv | 114.2853 (19) |
O2xxv—O1—H4vi | 122.12 (7) | K2xviii—H5—H1xvi | 114.285 (3) |
O2xxv—O1—H4xlvi | 122.07 (7) | K2xviii—H5—H1xvii | 114.285 (3) |
O2xxv—O1—H4xliii | 66.16 (4) | K2xviii—H5—H2i | 63.443 (2) |
O2xxv—O1—H4xlvii | 108.87 (5) | K2xviii—H5—H2xxii | 63.4435 (17) |
O2xxv—O1—H4xliv | 109.02 (5) | K2xviii—H5—H2xxiv | 63.443 (3) |
O2xxvi—O1—O2xxvii | 59.99 (7) | K2xviii—H5—H3xviii | 0.0 (5) |
O2xxvi—O1—H1xxviii | 130.17 (13) | K2xviii—H5—H4 | 156.918 (2) |
O2xxvi—O1—H1xxix | 77.46 (7) | K2xviii—H5—H4xv | 156.918 (2) |
O2xxvi—O1—H1xxx | 77.41 (8) | K2xviii—H5—H4xvi | 156.9180 (14) |
O2xxvi—O1—H2 | 160.95 (7) | K2xviii—H5—H4xviii | 139.956 (3) |
O2xxvi—O1—H2xv | 134.83 (4) | K2xviii—H5—H4xix | 139.956 (3) |
O2xxvi—O1—H2xvi | 134.61 (5) | K2xviii—H5—H4xx | 139.9555 (19) |
O2xxvi—O1—H4xxxiv | 48.53 (5) | K2xviii—H5—H5xviii | 180.0 (5) |
O2xxvi—O1—H4xxxv | 101.33 (8) | N2xviii—H5—O2vii | 68.42 (4) |
O2xxvi—O1—H4xxxvi | 101.57 (9) | N2xviii—H5—O2viii | 68.42 (4) |
O2xxvi—O1—H4v | 109.02 (7) | N2xviii—H5—O2ix | 68.42 (4) |
O2xxvi—O1—H4vi | 108.87 (6) | N2xviii—H5—H1xiii | 114.2853 (16) |
O2xxvi—O1—H4xlvi | 66.19 (5) | N2xviii—H5—H1 | 114.2853 (16) |
O2xxvi—O1—H4xliii | 122.12 (8) | N2xviii—H5—H1xiv | 114.2853 (19) |
O2xxvi—O1—H4xlvii | 66.16 (4) | N2xviii—H5—H1xv | 114.2853 (19) |
O2xxvi—O1—H4xliv | 122.07 (7) | N2xviii—H5—H1xvi | 114.285 (3) |
O2xxvii—O1—H1xxviii | 77.41 (7) | N2xviii—H5—H1xvii | 114.285 (3) |
O2xxvii—O1—H1xxix | 130.17 (13) | N2xviii—H5—H2i | 63.443 (2) |
O2xxvii—O1—H1xxx | 77.46 (8) | N2xviii—H5—H2xxii | 63.4435 (17) |
O2xxvii—O1—H2 | 134.61 (4) | N2xviii—H5—H2xxiv | 63.443 (3) |
O2xxvii—O1—H2xv | 160.95 (7) | N2xviii—H5—H3xviii | 0.0 (5) |
O2xxvii—O1—H2xvi | 134.83 (5) | N2xviii—H5—H4 | 156.918 (2) |
O2xxvii—O1—H4xxxiv | 101.57 (8) | N2xviii—H5—H4xv | 156.918 (2) |
O2xxvii—O1—H4xxxv | 48.53 (5) | N2xviii—H5—H4xvi | 156.9179 (14) |
O2xxvii—O1—H4xxxvi | 101.33 (8) | N2xviii—H5—H4xviii | 139.956 (3) |
O2xxvii—O1—H4v | 122.07 (8) | N2xviii—H5—H4xix | 139.956 (3) |
O2xxvii—O1—H4vi | 66.16 (5) | N2xviii—H5—H4xx | 139.9555 (19) |
O2xxvii—O1—H4xlvi | 109.02 (6) | N2xviii—H5—H5xviii | 180.0 (5) |
O2xxvii—O1—H4xliii | 108.87 (6) | O2vii—H5—O2viii | 107.28 (6) |
O2xxvii—O1—H4xlvii | 122.12 (7) | O2vii—H5—O2ix | 107.28 (6) |
O2xxvii—O1—H4xliv | 66.19 (4) | O2vii—H5—H1xiii | 54.37 (4) |
H1xxviii—O1—H1xxix | 119.27 (3) | O2vii—H5—H1 | 152.26 (3) |
H1xxviii—O1—H1xxx | 119.27 (3) | O2vii—H5—H1xiv | 152.32 (3) |
H1xxviii—O1—H2 | 68.88 (8) | O2vii—H5—H1xv | 54.34 (4) |
H1xxviii—O1—H2xv | 93.12 (10) | O2vii—H5—H1xvi | 98.73 (3) |
H1xxviii—O1—H2xvi | 93.38 (10) | O2vii—H5—H1xvii | 98.67 (3) |
H1xxviii—O1—H4xxxiv | 178.69 (15) | O2vii—H5—H2i | 41.88 (3) |
H1xxviii—O1—H4xxxv | 61.108 (10) | O2vii—H5—H2xxii | 129.93 (4) |
H1xxviii—O1—H4xxxvi | 60.742 (9) | O2vii—H5—H2xxiv | 67.00 (3) |
H1xxviii—O1—H4v | 71.523 (18) | O2vii—H5—H3xviii | 68.42 (4) |
H1xxviii—O1—H4vi | 71.621 (18) | O2vii—H5—H4 | 98.76 (4) |
H1xxviii—O1—H4xlvi | 160.31 (11) | O2vii—H5—H4xv | 99.20 (4) |
H1xxviii—O1—H4xliii | 47.664 (14) | O2vii—H5—H4xvi | 134.66 (4) |
H1xxviii—O1—H4xlvii | 160.29 (11) | O2vii—H5—H4xviii | 125.94 (3) |
H1xxviii—O1—H4xliv | 47.763 (15) | O2vii—H5—H4xix | 125.06 (4) |
H1xxix—O1—H1xxx | 119.27 (3) | O2vii—H5—H4xx | 71.54 (4) |
H1xxix—O1—H2 | 93.38 (10) | O2vii—H5—H5xviii | 111.58 (4) |
H1xxix—O1—H2xv | 68.88 (8) | O2viii—H5—O2ix | 107.28 (6) |
H1xxix—O1—H2xvi | 93.12 (10) | O2viii—H5—H1xiii | 98.67 (5) |
H1xxix—O1—H4xxxiv | 60.742 (10) | O2viii—H5—H1 | 98.73 (5) |
H1xxix—O1—H4xxxv | 178.69 (15) | O2viii—H5—H1xiv | 54.37 (5) |
H1xxix—O1—H4xxxvi | 61.108 (10) | O2viii—H5—H1xv | 152.26 (5) |
H1xxix—O1—H4v | 47.763 (15) | O2viii—H5—H1xvi | 54.34 (4) |
H1xxix—O1—H4vi | 160.29 (11) | O2viii—H5—H1xvii | 152.32 (5) |
H1xxix—O1—H4xlvi | 71.523 (18) | O2viii—H5—H2i | 67.00 (5) |
H1xxix—O1—H4xliii | 71.621 (18) | O2viii—H5—H2xxii | 41.88 (5) |
H1xxix—O1—H4xlvii | 47.664 (15) | O2viii—H5—H2xxiv | 129.93 (4) |
H1xxix—O1—H4xliv | 160.31 (11) | O2viii—H5—H3xviii | 68.42 (4) |
H1xxx—O1—H2 | 93.12 (10) | O2viii—H5—H4 | 134.66 (4) |
H1xxx—O1—H2xv | 93.38 (10) | O2viii—H5—H4xv | 98.76 (4) |
H1xxx—O1—H2xvi | 68.88 (8) | O2viii—H5—H4xvi | 99.20 (4) |
H1xxx—O1—H4xxxiv | 61.108 (9) | O2viii—H5—H4xviii | 71.54 (4) |
H1xxx—O1—H4xxxv | 60.742 (10) | O2viii—H5—H4xix | 125.94 (5) |
H1xxx—O1—H4xxxvi | 178.69 (15) | O2viii—H5—H4xx | 125.06 (4) |
H1xxx—O1—H4v | 160.31 (11) | O2viii—H5—H5xviii | 111.58 (4) |
H1xxx—O1—H4vi | 47.664 (15) | O2ix—H5—H1xiii | 152.32 (5) |
H1xxx—O1—H4xlvi | 47.763 (15) | O2ix—H5—H1 | 54.34 (5) |
H1xxx—O1—H4xliii | 160.29 (11) | O2ix—H5—H1xiv | 98.67 (5) |
H1xxx—O1—H4xlvii | 71.621 (18) | O2ix—H5—H1xv | 98.73 (4) |
H1xxx—O1—H4xliv | 71.523 (18) | O2ix—H5—H1xvi | 152.26 (5) |
H2—O1—H2xv | 27.97 (2) | O2ix—H5—H1xvii | 54.37 (4) |
H2—O1—H2xvi | 27.97 (2) | O2ix—H5—H2i | 129.93 (4) |
H2—O1—H4xxxiv | 112.41 (7) | O2ix—H5—H2xxii | 67.00 (4) |
H2—O1—H4xxxv | 87.92 (5) | O2ix—H5—H2xxiv | 41.88 (5) |
H2—O1—H4xxxvi | 88.08 (5) | O2ix—H5—H3xviii | 68.42 (4) |
H2—O1—H4v | 74.95 (4) | O2ix—H5—H4 | 99.20 (4) |
H2—O1—H4vi | 74.75 (4) | O2ix—H5—H4xv | 134.66 (4) |
H2—O1—H4xlvi | 95.16 (6) | O2ix—H5—H4xvi | 98.76 (4) |
H2—O1—H4xliii | 68.95 (4) | O2ix—H5—H4xviii | 125.06 (5) |
H2—O1—H4xlvii | 95.27 (6) | O2ix—H5—H4xix | 71.54 (4) |
H2—O1—H4xliv | 68.70 (4) | O2ix—H5—H4xx | 125.94 (4) |
H2xv—O1—H2xvi | 27.97 (2) | O2ix—H5—H5xviii | 111.58 (4) |
H2xv—O1—H4xxxiv | 88.08 (5) | H1xiii—H5—H1 | 131.429 (3) |
H2xv—O1—H4xxxv | 112.41 (7) | H1xiii—H5—H1xiv | 104.257 (5) |
H2xv—O1—H4xxxvi | 87.92 (5) | H1xiii—H5—H1xv | 54.227 (7) |
H2xv—O1—H4v | 68.70 (4) | H1xiii—H5—H1xvi | 54.227 (6) |
H2xv—O1—H4vi | 95.27 (6) | H1xiii—H5—H1xvii | 104.257 (6) |
H2xv—O1—H4xlvi | 74.95 (4) | H1xiii—H5—H2i | 53.069 (4) |
H2xv—O1—H4xliii | 74.75 (4) | H1xiii—H5—H2xxii | 140.167 (6) |
H2xv—O1—H4xlvii | 68.95 (4) | H1xiii—H5—H2xxiv | 112.616 (6) |
H2xv—O1—H4xliv | 95.16 (6) | H1xiii—H5—H3xviii | 114.2853 (16) |
H2xvi—O1—H4xxxiv | 87.92 (5) | H1xiii—H5—H4 | 67.514 (4) |
H2xvi—O1—H4xxxv | 88.08 (5) | H1xiii—H5—H4xv | 46.7043 (15) |
H2xvi—O1—H4xxxvi | 112.41 (7) | H1xiii—H5—H4xvi | 86.167 (3) |
H2xvi—O1—H4v | 95.16 (6) | H1xiii—H5—H4xviii | 72.054 (4) |
H2xvi—O1—H4vi | 68.95 (4) | H1xiii—H5—H4xix | 100.931 (5) |
H2xvi—O1—H4xlvi | 68.70 (4) | H1xiii—H5—H4xx | 34.303 (3) |
H2xvi—O1—H4xliii | 95.27 (6) | H1xiii—H5—H5xviii | 65.7147 (16) |
H2xvi—O1—H4xlvii | 74.75 (4) | H1—H5—H1xiv | 54.227 (7) |
H2xvi—O1—H4xliv | 74.95 (4) | H1—H5—H1xv | 104.257 (5) |
H4xxxiv—O1—H4xxxv | 118.85 (2) | H1—H5—H1xvi | 104.257 (6) |
H4xxxiv—O1—H4xxxvi | 118.85 (2) | H1—H5—H1xvii | 54.227 (6) |
H4xxxiv—O1—H4v | 108.505 (10) | H1—H5—H2i | 165.604 (4) |
H4xxxiv—O1—H4vi | 108.772 (10) | H1—H5—H2xxii | 66.412 (4) |
H4xxxiv—O1—H4xlvi | 20.836 (9) | H1—H5—H2xxiv | 89.037 (7) |
H4xxxiv—O1—H4xliii | 132.361 (12) | H1—H5—H3xviii | 114.2853 (16) |
H4xxxiv—O1—H4xlvii | 20.631 (9) | H1—H5—H4 | 68.022 (3) |
H4xxxiv—O1—H4xliv | 132.630 (12) | H1—H5—H4xv | 85.932 (4) |
H4xxxv—O1—H4xxxvi | 118.85 (2) | H1—H5—H4xvi | 46.3806 (17) |
H4xxxv—O1—H4v | 132.630 (12) | H1—H5—H4xviii | 71.241 (6) |
H4xxxv—O1—H4vi | 20.631 (9) | H1—H5—H4xix | 34.982 (3) |
H4xxxv—O1—H4xlvi | 108.505 (10) | H1—H5—H4xx | 101.324 (3) |
H4xxxv—O1—H4xliii | 108.772 (10) | H1—H5—H5xviii | 65.7147 (16) |
H4xxxv—O1—H4xlvii | 132.361 (12) | H1xiv—H5—H1xv | 131.429 (4) |
H4xxxv—O1—H4xliv | 20.836 (9) | H1xiv—H5—H1xvi | 54.227 (6) |
H4xxxvi—O1—H4v | 20.836 (8) | H1xiv—H5—H1xvii | 104.257 (7) |
H4xxxvi—O1—H4vi | 132.361 (12) | H1xiv—H5—H2i | 112.616 (7) |
H4xxxvi—O1—H4xlvi | 132.630 (12) | H1xiv—H5—H2xxii | 53.069 (4) |
H4xxxvi—O1—H4xliii | 20.631 (9) | H1xiv—H5—H2xxiv | 140.167 (5) |
H4xxxvi—O1—H4xlvii | 108.772 (10) | H1xiv—H5—H3xviii | 114.2853 (19) |
H4xxxvi—O1—H4xliv | 108.505 (10) | H1xiv—H5—H4 | 86.167 (4) |
H4v—O1—H4vi | 138.61 (5) | H1xiv—H5—H4xv | 67.514 (3) |
H4v—O1—H4xlvi | 116.66 (3) | H1xiv—H5—H4xvi | 46.7044 (19) |
H4v—O1—H4xliii | 23.860 (7) | H1xiv—H5—H4xviii | 34.303 (3) |
H4v—O1—H4xlvii | 93.56 (2) | H1xiv—H5—H4xix | 72.054 (6) |
H4v—O1—H4xliv | 116.66 (3) | H1xiv—H5—H4xx | 100.931 (4) |
H4vi—O1—H4xlvi | 93.56 (2) | H1xiv—H5—H5xviii | 65.7147 (19) |
H4vi—O1—H4xliii | 116.69 (3) | H1xv—H5—H1xvi | 104.257 (7) |
H4vi—O1—H4xlvii | 116.69 (3) | H1xv—H5—H1xvii | 54.227 (6) |
H4vi—O1—H4xliv | 23.860 (6) | H1xv—H5—H2i | 89.037 (6) |
H4xlvi—O1—H4xliii | 138.61 (5) | H1xv—H5—H2xxii | 165.604 (4) |
H4xlvi—O1—H4xlvii | 23.860 (7) | H1xv—H5—H2xxiv | 66.412 (6) |
H4xlvi—O1—H4xliv | 116.66 (3) | H1xv—H5—H3xviii | 114.2853 (19) |
H4xliii—O1—H4xlvii | 116.69 (3) | H1xv—H5—H4 | 46.3806 (15) |
H4xliii—O1—H4xliv | 93.56 (2) | H1xv—H5—H4xv | 68.022 (4) |
H4xlvii—O1—H4xliv | 138.61 (5) | H1xv—H5—H4xvi | 85.932 (3) |
K1xlviii—O2—N1xlviii | 0.0 (5) | H1xv—H5—H4xviii | 101.324 (5) |
K1xlviii—O2—K2xxxiv | 97.79 (5) | H1xv—H5—H4xix | 71.241 (4) |
K1xlviii—O2—K2xlv | 97.84 (5) | H1xv—H5—H4xx | 34.982 (3) |
K1xlviii—O2—K2x | 96.80 (6) | H1xv—H5—H5xviii | 65.7147 (19) |
K1xlviii—O2—N2xxxiv | 97.83 (4) | H1xvi—H5—H1xvii | 131.429 (5) |
K1xlviii—O2—N2xlv | 97.88 (4) | H1xvi—H5—H2i | 66.412 (6) |
K1xlviii—O2—S1xxv | 115.57 (7) | H1xvi—H5—H2xxii | 89.037 (7) |
K1xlviii—O2—O1xxv | 78.63 (5) | H1xvi—H5—H2xxiv | 165.604 (4) |
K1xlviii—O2—O2xv | 126.53 (6) | H1xvi—H5—H3xviii | 114.285 (3) |
K1xlviii—O2—O2xvi | 126.46 (6) | H1xvi—H5—H4 | 85.932 (5) |
K1xlviii—O2—H1xlix | 63.75 (3) | H1xvi—H5—H4xv | 46.3806 (16) |
K1xlviii—O2—H1l | 63.76 (3) | H1xvi—H5—H4xvi | 68.022 (4) |
K1xlviii—O2—H2xxxiv | 105.50 (5) | H1xvi—H5—H4xviii | 34.982 (3) |
K1xlviii—O2—H2xxxv | 105.75 (5) | H1xvi—H5—H4xix | 101.324 (6) |
K1xlviii—O2—H2li | 85.14 (4) | H1xvi—H5—H4xx | 71.241 (5) |
K1xlviii—O2—H2xxx | 85.16 (4) | H1xvi—H5—H5xviii | 65.715 (3) |
K1xlviii—O2—H2xxxiii | 112.56 (6) | H1xvii—H5—H2i | 140.167 (5) |
K1xlviii—O2—H3x | 79.85 (5) | H1xvii—H5—H2xxii | 112.616 (6) |
K1xlviii—O2—H4xlviii | 16.259 (9) | H1xvii—H5—H2xxiv | 53.069 (6) |
K1xlviii—O2—H4l | 16.191 (9) | H1xvii—H5—H3xviii | 114.285 (3) |
K1xlviii—O2—H4x | 16.822 (10) | H1xvii—H5—H4 | 46.7044 (16) |
K1xlviii—O2—H4lii | 16.869 (10) | H1xvii—H5—H4xv | 86.167 (5) |
K1xlviii—O2—H4xxxiii | 6.777 (15) | H1xvii—H5—H4xvi | 67.514 (4) |
K1xlviii—O2—H5xlviii | 25.047 (18) | H1xvii—H5—H4xviii | 100.931 (6) |
N1xlviii—O2—K2xxxiv | 97.79 (5) | H1xvii—H5—H4xix | 34.303 (3) |
N1xlviii—O2—K2xlv | 97.84 (5) | H1xvii—H5—H4xx | 72.054 (5) |
N1xlviii—O2—K2x | 96.80 (6) | H1xvii—H5—H5xviii | 65.715 (3) |
N1xlviii—O2—N2xxxiv | 97.83 (4) | H2i—H5—H2xxii | 101.547 (5) |
N1xlviii—O2—N2xlv | 97.88 (4) | H2i—H5—H2xxiv | 101.547 (7) |
N1xlviii—O2—S1xxv | 115.57 (7) | H2i—H5—H3xviii | 63.443 (2) |
N1xlviii—O2—O1xxv | 78.63 (5) | H2i—H5—H4 | 120.173 (3) |
N1xlviii—O2—O2xv | 126.53 (6) | H2i—H5—H4xv | 94.152 (4) |
N1xlviii—O2—O2xvi | 126.46 (6) | H2i—H5—H4xvi | 131.213 (3) |
N1xlviii—O2—H1xlix | 63.75 (3) | H2i—H5—H4xviii | 101.093 (6) |
N1xlviii—O2—H1l | 63.76 (3) | H2i—H5—H4xix | 153.9478 (19) |
N1xlviii—O2—H2xxxiv | 105.50 (5) | H2i—H5—H4xx | 86.330 (4) |
N1xlviii—O2—H2xxxv | 105.75 (5) | H2i—H5—H5xviii | 116.557 (2) |
N1xlviii—O2—H2li | 85.14 (4) | H2xxii—H5—H2xxiv | 101.547 (6) |
N1xlviii—O2—H2xxx | 85.16 (4) | H2xxii—H5—H3xviii | 63.4435 (17) |
N1xlviii—O2—H2xxxiii | 112.56 (6) | H2xxii—H5—H4 | 131.213 (2) |
N1xlviii—O2—H3x | 79.85 (5) | H2xxii—H5—H4xv | 120.173 (4) |
N1xlviii—O2—H4xlviii | 16.259 (9) | H2xxii—H5—H4xvi | 94.152 (3) |
N1xlviii—O2—H4l | 16.191 (9) | H2xxii—H5—H4xviii | 86.330 (5) |
N1xlviii—O2—H4x | 16.822 (10) | H2xxii—H5—H4xix | 101.093 (4) |
N1xlviii—O2—H4lii | 16.869 (10) | H2xxii—H5—H4xx | 153.9478 (18) |
N1xlviii—O2—H4xxxiii | 6.777 (15) | H2xxii—H5—H5xviii | 116.5565 (17) |
N1xlviii—O2—H5xlviii | 25.047 (18) | H2xxiv—H5—H3xviii | 63.443 (3) |
K2xxxiv—O2—K2xlv | 145.44 (7) | H2xxiv—H5—H4 | 94.152 (5) |
K2xxxiv—O2—K2x | 73.83 (4) | H2xxiv—H5—H4xv | 131.213 (2) |
K2xxxiv—O2—N2x | 73.83 (4) | H2xxiv—H5—H4xvi | 120.173 (4) |
K2xxxiv—O2—S1xxv | 100.29 (6) | H2xxiv—H5—H4xviii | 153.9478 (18) |
K2xxxiv—O2—O1xxv | 106.57 (5) | H2xxiv—H5—H4xix | 86.330 (6) |
K2xxxiv—O2—O2xv | 124.20 (7) | H2xxiv—H5—H4xx | 101.093 (5) |
K2xxxiv—O2—O2xvi | 66.87 (4) | H2xxiv—H5—H5xviii | 116.557 (3) |
K2xxxiv—O2—H1xlix | 73.29 (4) | H3xviii—H5—H4 | 156.918 (2) |
K2xxxiv—O2—H1l | 141.07 (6) | H3xviii—H5—H4xv | 156.918 (2) |
K2xxxiv—O2—H2xxxiv | 9.023 (16) | H3xviii—H5—H4xvi | 156.9180 (14) |
K2xxxiv—O2—H2xxxv | 145.23 (7) | H3xviii—H5—H4xviii | 139.956 (3) |
K2xxxiv—O2—H2li | 15.647 (10) | H3xviii—H5—H4xix | 139.956 (3) |
K2xxxiv—O2—H2xxx | 139.88 (6) | H3xviii—H5—H4xx | 139.9555 (19) |
K2xxxiv—O2—H2xxxiii | 72.93 (4) | H3xviii—H5—H5xviii | 180.0 (5) |
K2xxxiv—O2—H3x | 76.33 (4) | H4—H5—H4xv | 39.696 (5) |
K2xxxiv—O2—H4xlviii | 112.26 (5) | H4—H5—H4xvi | 39.696 (3) |
K2xxxiv—O2—H4l | 88.67 (5) | H4—H5—H4xviii | 63.127 (6) |
K2xxxiv—O2—H4x | 82.69 (4) | H4—H5—H4xix | 33.862 (3) |
K2xxxiv—O2—H4lii | 106.82 (5) | H4—H5—H4xx | 33.862 (3) |
K2xxxiv—O2—H4xxxiii | 99.30 (5) | H4—H5—H5xviii | 23.082 (2) |
K2xxxiv—O2—H5xlviii | 90.62 (5) | H4xv—H5—H4xvi | 39.696 (3) |
K2xlv—O2—K2x | 73.86 (4) | H4xv—H5—H4xviii | 33.862 (3) |
K2xlv—O2—N2xxxiv | 145.39 (6) | H4xv—H5—H4xix | 63.127 (5) |
K2xlv—O2—N2xlv | 0.0 (5) | H4xv—H5—H4xx | 33.862 (3) |
K2xlv—O2—N2x | 73.86 (4) | H4xv—H5—H5xviii | 23.082 (2) |
K2xlv—O2—S1xxv | 100.39 (6) | H4xvi—H5—H4xviii | 33.862 (4) |
K2xlv—O2—O1xxv | 106.63 (5) | H4xvi—H5—H4xix | 33.862 (4) |
K2xlv—O2—O2xv | 66.96 (4) | H4xvi—H5—H4xx | 63.127 (3) |
K2xlv—O2—O2xvi | 124.30 (7) | H4xvi—H5—H5xviii | 23.0821 (14) |
K2xlv—O2—H1xlix | 141.13 (6) | H4xviii—H5—H4xix | 67.723 (7) |
K2xlv—O2—H1l | 73.35 (4) | H4xviii—H5—H4xx | 67.723 (5) |
K2xlv—O2—H2xxxiv | 145.14 (7) | H4xviii—H5—H5xviii | 40.044 (3) |
K2xlv—O2—H2xxxv | 9.336 (15) | H4xix—H5—H4xx | 67.723 (4) |
K2xlv—O2—H2li | 140.00 (6) | H4xix—H5—H5xviii | 40.044 (3) |
K2xlv—O2—H2xxx | 15.744 (10) | H4xx—H5—H5xviii | 40.0445 (19) |
Symmetry codes: (i) x−2/3, y−1/3, z−1/3; (ii) x+1/3, y−1/3, z−1/3; (iii) x+1/3, y+2/3, z−1/3; (iv) −x−1/3, −y−2/3, −z+1/3; (v) −x−1/3, −y+1/3, −z+1/3; (vi) −x+2/3, −y+1/3, −z+1/3; (vii) x−1/3, y+1/3, z−2/3; (viii) −y−1/3, x−y−2/3, z−2/3; (ix) −x+y+2/3, −x+1/3, z−2/3; (x) −x+1/3, −y−1/3, −z+2/3; (xi) y+1/3, −x+y+2/3, −z+2/3; (xii) x−y−2/3, x−1/3, −z+2/3; (xiii) x−1, y, z; (xiv) −y, x−y−1, z; (xv) −y, x−y, z; (xvi) −x+y, −x, z; (xvii) −x+y+1, −x+1, z; (xviii) −x, −y, −z; (xix) y, −x+y, −z; (xx) x−y, x, −z; (xxi) −y−2/3, x−y−1/3, z−1/3; (xxii) −y+1/3, x−y−1/3, z−1/3; (xxiii) −x+y+1/3, −x−1/3, z−1/3; (xxiv) −x+y+1/3, −x+2/3, z−1/3; (xxv) −x, −y, −z+1; (xxvi) y, −x+y, −z+1; (xxvii) x−y, x, −z+1; (xxviii) x−1/3, y+1/3, z+1/3; (xxix) −y−1/3, x−y−2/3, z+1/3; (xxx) −x+y+2/3, −x+1/3, z+1/3; (xxxi) −x+1/3, −y+2/3, −z+2/3; (xxxii) y−2/3, −x+y−1/3, −z+2/3; (xxxiii) x−y+1/3, x−1/3, −z+2/3; (xxxiv) x−1/3, y−2/3, z+1/3; (xxxv) −y+2/3, x−y+1/3, z+1/3; (xxxvi) −x+y−1/3, −x+1/3, z+1/3; (xxxvii) −x−2/3, −y−1/3, −z+2/3; (xxxviii) −y+1, x−y, z; (xxxix) −x+y+1, −x, z; (xl) x+1, y, z; (xli) −x+1, −y, −z; (xlii) x−y+1, x, −z; (xliii) y−1/3, −x+y+1/3, −z+1/3; (xliv) x−y+2/3, x+1/3, −z+1/3; (xlv) x+2/3, y+1/3, z+1/3; (xlvi) y−1/3, −x+y−2/3, −z+1/3; (xlvii) x−y−1/3, x−2/3, −z+1/3; (xlviii) x+1/3, y−1/3, z+2/3; (xlix) x−2/3, y−1/3, z+2/3; (l) −y+1/3, x−y−1/3, z+2/3; (li) −x+y−1/3, −x−2/3, z+1/3; (lii) y+1/3, −x+y−1/3, −z+2/3; (liii) x+2/3, y+1/3, z−2/3. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1ii—H1···O1vi | 1.6738 (4) | 1.6738 (4) | 3.3476 (8) | ** |
Symmetry codes: (ii) x+1/3, y−1/3, z−1/3; (vi) −x+2/3, −y+1/3, −z+1/3. |