In the structure of the title compound, (2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine)potassium chlorochromate(VI), [K(C16H24O6)][CrClO3], the K+ cation is located approximately in the center of the crown ether cavity and is coordinated by two anions, one on each side of the macrocylic ring, one anion being related to the other by the symmetry operator (x, y - 1, z). One anion is bonded through O and Cl atoms and the other only by an O atom. As a result, in the crystal structure, polymeric chains, consisting of alternating anions and cations, are formed along the [010] direction.
Supporting information
CCDC reference: 618269
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C) = 0.002 Å
- R factor = 0.027
- wR factor = 0.050
- Data-to-parameter ratio = 28.6
checkCIF/PLATON results
No syntax errors found
Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
correct. If it is not, please give the correct count in the
_publ_section_exptl_refinement section of the submitted CIF.
From the CIF: _diffrn_reflns_theta_max 34.72
From the CIF: _reflns_number_total 7230
Count of symmetry unique reflns 4596
Completeness (_total/calc) 157.31%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 2634
Fraction of Friedel pairs measured 0.573
Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
0 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
0 ALERT type 2 Indicator that the structure model may be wrong or deficient
0 ALERT type 3 Indicator that the structure quality may be low
1 ALERT type 4 Improvement, methodology, query or suggestion
checkCIF publication errors
Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
Please specify the role of each of the co-authors
for your paper.
| Author Response: All autors made significant contribution
in this work. The idea of synthesis belongs to Kamalov and
Kotlyar. The synthesis was performed by Kiriyak and Pluzhnik-Gladyr.
X-ray diffraction experiment, structure
solution and refinement was performed by Zubatyuk.
The analysis of diffraction data was performed by Shishkin and Zubatyuk.
|
1 ALERT level A = Data missing that is essential or data in wrong format
0 ALERT level G = General alerts. Data that may be required is missing
Data collection: CrysAlis CCD (Oxford Diffraction, 2006); cell refinement: CrysAlis RED (Oxford Diffraction, 2006); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: please specify; software used to prepare material for publication: SHELXL97.
(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-
benzohexaoxacyclooctadecine)potassium chlorochromate
top
Crystal data top
[K(C16H24O6)][CrClO3] | F(000) = 1008 |
Mr = 486.9 | Dx = 1.564 Mg m−3 |
Orthorhombic, Pna21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2c -2n | Cell parameters from 8193 reflections |
a = 15.8744 (12) Å | θ = 2.6–34.8° |
b = 7.8637 (10) Å | µ = 0.93 mm−1 |
c = 16.562 (2) Å | T = 100 K |
V = 2067.4 (4) Å3 | Prism, pale orange |
Z = 4 | 0.4 × 0.3 × 0.25 mm |
Data collection top
Xcalibur 3 diffractometer | 7230 independent reflections |
Radiation source: Enhance (Mo) X-ray Source | 5979 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.024 |
Detector resolution: 16.1827 pixels mm-1 | θmax = 34.7°, θmin = 2.9° |
ω scans | h = −20→25 |
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2006) | k = −12→12 |
Tmin = 0.708, Tmax = 0.793 | l = −26→21 |
15472 measured reflections | |
Refinement top
Refinement on F2 | H-atom parameters constrained |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.02P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.027 | (Δ/σ)max = 0.001 |
wR(F2) = 0.050 | Δρmax = 0.41 e Å−3 |
S = 1.02 | Δρmin = −0.37 e Å−3 |
7230 reflections | Absolute structure: Flack (1983), 2634 Friedel pairs |
253 parameters | Absolute structure parameter: 0.009 (11) |
1 restraint | |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Cr1 | −0.320664 (13) | 0.99136 (3) | −0.406533 (13) | 0.01455 (4) | |
K1 | −0.332281 (18) | 0.51318 (4) | −0.370222 (15) | 0.01553 (6) | |
Cl1 | −0.27020 (2) | 0.87280 (5) | −0.29566 (2) | 0.02445 (8) | |
O1 | −0.24374 (6) | 0.42156 (14) | −0.22905 (6) | 0.0173 (2) | |
O2 | −0.42520 (6) | 0.41285 (13) | −0.23302 (6) | 0.0179 (2) | |
O3 | −0.51081 (6) | 0.52176 (13) | −0.37710 (6) | 0.0202 (2) | |
O4 | −0.40578 (6) | 0.45712 (14) | −0.51630 (6) | 0.0191 (2) | |
O5 | −0.23117 (6) | 0.53318 (13) | −0.50929 (6) | 0.0173 (2) | |
O6 | −0.15244 (6) | 0.49638 (13) | −0.35528 (5) | 0.01624 (19) | |
O7 | −0.38595 (7) | 0.85769 (15) | −0.44456 (7) | 0.0256 (2) | |
O8 | −0.24429 (7) | 1.02899 (18) | −0.46756 (7) | 0.0326 (3) | |
O9 | −0.36707 (8) | 1.16465 (15) | −0.38117 (7) | 0.0318 (3) | |
C1 | −0.11703 (9) | 0.53426 (17) | −0.28163 (8) | 0.0144 (3) | |
C2 | −0.03812 (9) | 0.60547 (18) | −0.27131 (9) | 0.0181 (3) | |
H2A | −0.0052 | 0.6355 | −0.317 | 0.022* | |
C3 | −0.00687 (10) | 0.6332 (2) | −0.19360 (9) | 0.0227 (3) | |
H3A | 0.0475 | 0.6815 | −0.1866 | 0.027* | |
C4 | −0.05440 (10) | 0.5911 (2) | −0.12719 (10) | 0.0235 (3) | |
H4A | −0.0326 | 0.6097 | −0.0745 | 0.028* | |
C5 | −0.13414 (10) | 0.52155 (19) | −0.13688 (8) | 0.0200 (3) | |
H5A | −0.167 | 0.4941 | −0.0907 | 0.024* | |
C6 | −0.16612 (9) | 0.49187 (18) | −0.21352 (8) | 0.0157 (2) | |
C7 | −0.29581 (9) | 0.3869 (2) | −0.15989 (8) | 0.0193 (3) | |
H7A | −0.3112 | 0.4946 | −0.1326 | 0.023* | |
H7B | −0.2649 | 0.3146 | −0.1209 | 0.023* | |
C8 | −0.37373 (9) | 0.2972 (2) | −0.18846 (9) | 0.0199 (3) | |
H8A | −0.3579 | 0.1998 | −0.2232 | 0.024* | |
H8B | −0.4055 | 0.2529 | −0.1415 | 0.024* | |
C9 | −0.50002 (9) | 0.3318 (2) | −0.26089 (9) | 0.0206 (3) | |
H9A | −0.5323 | 0.286 | −0.2146 | 0.025* | |
H9B | −0.4855 | 0.2361 | −0.2972 | 0.025* | |
C10 | −0.55208 (9) | 0.46070 (19) | −0.30552 (10) | 0.0223 (3) | |
H10A | −0.6066 | 0.4088 | −0.3207 | 0.027* | |
H10B | −0.5639 | 0.558 | −0.2693 | 0.027* | |
C11 | −0.53649 (10) | 0.4332 (2) | −0.44816 (10) | 0.0246 (3) | |
H11A | −0.5982 | 0.4443 | −0.4554 | 0.03* | |
H11B | −0.5228 | 0.3109 | −0.4429 | 0.03* | |
C12 | −0.49173 (9) | 0.5065 (2) | −0.52007 (9) | 0.0241 (3) | |
H12A | −0.5176 | 0.4637 | −0.5705 | 0.029* | |
H12B | −0.4963 | 0.6321 | −0.5196 | 0.029* | |
C13 | −0.35902 (10) | 0.5134 (2) | −0.58458 (8) | 0.0232 (3) | |
H13A | −0.3593 | 0.6392 | −0.5873 | 0.028* | |
H13B | −0.3845 | 0.4686 | −0.6348 | 0.028* | |
C14 | −0.27074 (10) | 0.4497 (2) | −0.57608 (8) | 0.0216 (3) | |
H14A | −0.2712 | 0.3253 | −0.567 | 0.026* | |
H14B | −0.2388 | 0.473 | −0.6262 | 0.026* | |
C15 | −0.14798 (9) | 0.4713 (2) | −0.49822 (9) | 0.0198 (3) | |
H15A | −0.1139 | 0.496 | −0.5469 | 0.024* | |
H15B | −0.1494 | 0.3464 | −0.4905 | 0.024* | |
C16 | −0.10823 (9) | 0.5539 (2) | −0.42582 (8) | 0.0188 (3) | |
H16A | −0.048 | 0.5221 | −0.4223 | 0.023* | |
H16B | −0.1121 | 0.6792 | −0.4303 | 0.023* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cr1 | 0.01470 (9) | 0.01534 (10) | 0.01362 (8) | −0.00058 (9) | 0.00104 (9) | −0.00147 (10) |
K1 | 0.01361 (12) | 0.01862 (14) | 0.01435 (12) | −0.00156 (12) | −0.00061 (10) | −0.00062 (12) |
Cl1 | 0.03110 (18) | 0.02263 (17) | 0.01962 (14) | 0.00111 (16) | −0.00677 (15) | 0.00083 (15) |
O1 | 0.0154 (5) | 0.0239 (5) | 0.0126 (4) | −0.0037 (4) | 0.0014 (4) | 0.0004 (4) |
O2 | 0.0156 (5) | 0.0141 (5) | 0.0240 (5) | −0.0021 (4) | 0.0017 (4) | 0.0012 (4) |
O3 | 0.0162 (5) | 0.0180 (5) | 0.0263 (5) | −0.0028 (4) | 0.0007 (4) | −0.0032 (4) |
O4 | 0.0169 (5) | 0.0228 (6) | 0.0177 (4) | 0.0008 (4) | −0.0047 (4) | 0.0007 (4) |
O5 | 0.0178 (4) | 0.0202 (5) | 0.0138 (4) | 0.0024 (4) | −0.0005 (4) | −0.0020 (4) |
O6 | 0.0151 (4) | 0.0216 (5) | 0.0121 (4) | −0.0025 (4) | 0.0004 (3) | 0.0008 (4) |
O7 | 0.0261 (6) | 0.0259 (6) | 0.0247 (5) | −0.0077 (5) | −0.0060 (4) | 0.0004 (5) |
O8 | 0.0204 (5) | 0.0568 (9) | 0.0207 (5) | −0.0091 (6) | 0.0033 (4) | 0.0021 (5) |
O9 | 0.0496 (8) | 0.0203 (5) | 0.0257 (5) | 0.0105 (5) | 0.0007 (5) | −0.0004 (5) |
C1 | 0.0152 (6) | 0.0132 (6) | 0.0148 (6) | 0.0037 (5) | −0.0020 (5) | −0.0007 (5) |
C2 | 0.0168 (7) | 0.0142 (6) | 0.0233 (7) | 0.0013 (6) | −0.0008 (5) | −0.0002 (5) |
C3 | 0.0175 (7) | 0.0195 (7) | 0.0311 (8) | 0.0011 (6) | −0.0070 (6) | −0.0055 (6) |
C4 | 0.0247 (8) | 0.0238 (8) | 0.0221 (7) | 0.0065 (7) | −0.0095 (6) | −0.0070 (6) |
C5 | 0.0223 (7) | 0.0226 (8) | 0.0151 (6) | 0.0050 (6) | −0.0014 (5) | −0.0021 (6) |
C6 | 0.0144 (6) | 0.0162 (6) | 0.0165 (6) | 0.0040 (6) | −0.0010 (4) | −0.0007 (5) |
C7 | 0.0209 (7) | 0.0235 (7) | 0.0136 (6) | 0.0017 (6) | 0.0041 (5) | 0.0029 (6) |
C8 | 0.0218 (7) | 0.0175 (7) | 0.0203 (6) | 0.0003 (6) | 0.0051 (5) | 0.0038 (6) |
C9 | 0.0153 (7) | 0.0163 (7) | 0.0303 (7) | −0.0042 (5) | 0.0049 (6) | −0.0022 (6) |
C10 | 0.0143 (6) | 0.0206 (7) | 0.0321 (8) | −0.0022 (6) | 0.0047 (6) | −0.0020 (6) |
C11 | 0.0153 (7) | 0.0257 (8) | 0.0329 (8) | −0.0007 (6) | −0.0046 (6) | −0.0082 (7) |
C12 | 0.0211 (7) | 0.0256 (8) | 0.0257 (7) | 0.0032 (7) | −0.0096 (6) | −0.0053 (7) |
C13 | 0.0267 (7) | 0.0267 (8) | 0.0161 (6) | −0.0031 (7) | −0.0054 (5) | 0.0032 (6) |
C14 | 0.0281 (8) | 0.0242 (8) | 0.0127 (6) | −0.0028 (6) | 0.0000 (6) | −0.0031 (5) |
C15 | 0.0171 (6) | 0.0270 (8) | 0.0153 (6) | 0.0042 (6) | 0.0025 (5) | −0.0003 (6) |
C16 | 0.0150 (6) | 0.0254 (7) | 0.0161 (6) | −0.0005 (6) | 0.0027 (5) | 0.0022 (5) |
Geometric parameters (Å, º) top
Cr1—O7 | 1.6048 (11) | C3—H3A | 0.95 |
Cr1—O9 | 1.6051 (12) | C4—C5 | 1.388 (2) |
Cr1—O8 | 1.6059 (11) | C4—H4A | 0.95 |
Cr1—Cl1 | 2.2096 (5) | C5—C6 | 1.3869 (19) |
K1—O4 | 2.7218 (10) | C5—H5A | 0.95 |
K1—O9i | 2.8017 (13) | C7—C8 | 1.500 (2) |
K1—O5 | 2.8118 (10) | C7—H7A | 0.99 |
K1—O1 | 2.8215 (10) | C7—H7B | 0.99 |
K1—O2 | 2.8217 (11) | C8—H8A | 0.99 |
K1—O3 | 2.8371 (11) | C8—H8B | 0.99 |
K1—O6 | 2.8686 (10) | C9—C10 | 1.502 (2) |
K1—O7 | 3.0953 (12) | C9—H9A | 0.99 |
K1—Cl1 | 3.2394 (6) | C9—H9B | 0.99 |
O1—C6 | 1.3748 (16) | C10—H10A | 0.99 |
O1—C7 | 1.4386 (16) | C10—H10B | 0.99 |
O2—C9 | 1.4249 (17) | C11—C12 | 1.502 (2) |
O2—C8 | 1.4279 (18) | C11—H11A | 0.99 |
O3—C11 | 1.4270 (19) | C11—H11B | 0.99 |
O3—C10 | 1.4370 (19) | C12—H12A | 0.99 |
O4—C12 | 1.4200 (18) | C12—H12B | 0.99 |
O4—C13 | 1.4233 (18) | C13—C14 | 1.495 (2) |
O5—C15 | 1.4193 (17) | C13—H13A | 0.99 |
O5—C14 | 1.4315 (17) | C13—H13B | 0.99 |
O6—C1 | 1.3757 (16) | C14—H14A | 0.99 |
O6—C16 | 1.4359 (16) | C14—H14B | 0.99 |
O9—K1ii | 2.8017 (13) | C15—C16 | 1.503 (2) |
C1—C2 | 1.383 (2) | C15—H15A | 0.99 |
C1—C6 | 1.4109 (19) | C15—H15B | 0.99 |
C2—C3 | 1.396 (2) | C16—H16A | 0.99 |
C2—H2A | 0.95 | C16—H16B | 0.99 |
C3—C4 | 1.374 (2) | | |
| | | |
O7—Cr1—O9 | 111.25 (6) | C2—C3—H3A | 119.8 |
O7—Cr1—O8 | 111.18 (6) | C3—C4—C5 | 120.20 (14) |
O9—Cr1—O8 | 110.78 (7) | C3—C4—H4A | 119.9 |
O7—Cr1—Cl1 | 106.49 (4) | C5—C4—H4A | 119.9 |
O9—Cr1—Cl1 | 107.88 (5) | C6—C5—C4 | 120.38 (14) |
O8—Cr1—Cl1 | 109.09 (5) | C6—C5—H5A | 119.8 |
O4—K1—O9i | 72.52 (3) | C4—C5—H5A | 119.8 |
O4—K1—O5 | 61.69 (3) | O1—C6—C5 | 124.53 (13) |
O9i—K1—O5 | 96.56 (3) | O1—C6—C1 | 116.14 (11) |
O4—K1—O1 | 155.33 (3) | C5—C6—C1 | 119.33 (13) |
O9i—K1—O1 | 84.38 (3) | O1—C7—C8 | 108.15 (11) |
O5—K1—O1 | 114.12 (3) | O1—C7—H7A | 110.1 |
O4—K1—O2 | 116.51 (3) | C8—C7—H7A | 110.1 |
O9i—K1—O2 | 71.07 (3) | O1—C7—H7B | 110.1 |
O5—K1—O2 | 166.84 (3) | C8—C7—H7B | 110.1 |
O1—K1—O2 | 61.43 (3) | H7A—C7—H7B | 108.4 |
O4—K1—O3 | 62.61 (3) | O2—C8—C7 | 109.59 (12) |
O9i—K1—O3 | 79.85 (4) | O2—C8—H8A | 109.8 |
O5—K1—O3 | 122.41 (3) | C7—C8—H8A | 109.8 |
O1—K1—O3 | 122.48 (3) | O2—C8—H8B | 109.8 |
O2—K1—O3 | 61.10 (3) | C7—C8—H8B | 109.8 |
O4—K1—O6 | 119.72 (3) | H8A—C8—H8B | 108.2 |
O9i—K1—O6 | 99.02 (3) | O2—C9—C10 | 108.41 (12) |
O5—K1—O6 | 60.34 (3) | O2—C9—H9A | 110 |
O1—K1—O6 | 54.62 (3) | C10—C9—H9A | 110 |
O2—K1—O6 | 115.97 (3) | O2—C9—H9B | 110 |
O3—K1—O6 | 177.06 (3) | C10—C9—H9B | 110 |
O4—K1—O7 | 70.75 (3) | H9A—C9—H9B | 108.4 |
O9i—K1—O7 | 140.91 (3) | O3—C10—C9 | 112.37 (12) |
O5—K1—O7 | 77.43 (3) | O3—C10—H10A | 109.1 |
O1—K1—O7 | 133.64 (3) | C9—C10—H10A | 109.1 |
O2—K1—O7 | 114.91 (3) | O3—C10—H10B | 109.1 |
O3—K1—O7 | 71.84 (3) | C9—C10—H10B | 109.1 |
O6—K1—O7 | 110.40 (3) | H10A—C10—H10B | 107.9 |
O4—K1—Cl1 | 127.64 (3) | O3—C11—C12 | 109.37 (12) |
O9i—K1—Cl1 | 159.82 (3) | O3—C11—H11A | 109.8 |
O5—K1—Cl1 | 95.15 (2) | C12—C11—H11A | 109.8 |
O1—K1—Cl1 | 75.85 (2) | O3—C11—H11B | 109.8 |
O2—K1—Cl1 | 95.52 (2) | C12—C11—H11B | 109.8 |
O3—K1—Cl1 | 107.36 (2) | H11A—C11—H11B | 108.2 |
O6—K1—Cl1 | 72.82 (2) | O4—C12—C11 | 108.35 (12) |
O7—K1—Cl1 | 58.08 (2) | O4—C12—H12A | 110 |
Cr1—Cl1—K1 | 86.633 (16) | C11—C12—H12A | 110 |
C6—O1—C7 | 116.24 (11) | O4—C12—H12B | 110 |
C6—O1—K1 | 119.92 (8) | C11—C12—H12B | 110 |
C7—O1—K1 | 114.95 (8) | H12A—C12—H12B | 108.4 |
C9—O2—C8 | 111.07 (11) | O4—C13—C14 | 108.05 (12) |
C9—O2—K1 | 107.45 (8) | O4—C13—H13A | 110.1 |
C8—O2—K1 | 107.16 (8) | C14—C13—H13A | 110.1 |
C11—O3—C10 | 112.78 (11) | O4—C13—H13B | 110.1 |
C11—O3—K1 | 107.87 (8) | C14—C13—H13B | 110.1 |
C10—O3—K1 | 114.48 (8) | H13A—C13—H13B | 108.4 |
C12—O4—C13 | 112.40 (11) | O5—C14—C13 | 109.31 (12) |
C12—O4—K1 | 114.00 (8) | O5—C14—H14A | 109.8 |
C13—O4—K1 | 115.62 (8) | C13—C14—H14A | 109.8 |
C15—O5—C14 | 110.54 (11) | O5—C14—H14B | 109.8 |
C15—O5—K1 | 113.96 (8) | C13—C14—H14B | 109.8 |
C14—O5—K1 | 110.90 (8) | H14A—C14—H14B | 108.3 |
C1—O6—C16 | 116.97 (10) | O5—C15—C16 | 110.21 (12) |
C1—O6—K1 | 118.25 (7) | O5—C15—H15A | 109.6 |
C16—O6—K1 | 113.68 (7) | C16—C15—H15A | 109.6 |
Cr1—O7—K1 | 103.85 (5) | O5—C15—H15B | 109.6 |
Cr1—O9—K1ii | 139.20 (7) | C16—C15—H15B | 109.6 |
O6—C1—C2 | 124.58 (12) | H15A—C15—H15B | 108.1 |
O6—C1—C6 | 115.59 (11) | O6—C16—C15 | 107.94 (12) |
C2—C1—C6 | 119.82 (12) | O6—C16—H16A | 110.1 |
C1—C2—C3 | 119.94 (13) | C15—C16—H16A | 110.1 |
C1—C2—H2A | 120 | O6—C16—H16B | 110.1 |
C3—C2—H2A | 120 | C15—C16—H16B | 110.1 |
C4—C3—C2 | 120.32 (14) | H16A—C16—H16B | 108.4 |
C4—C3—H3A | 119.8 | | |
| | | |
O7—Cr1—Cl1—K1 | 19.71 (5) | O4—K1—O5—C14 | −18.48 (9) |
O9—Cr1—Cl1—K1 | 139.22 (5) | O9i—K1—O5—C14 | 47.60 (9) |
O8—Cr1—Cl1—K1 | −100.37 (5) | O1—K1—O5—C14 | 134.36 (9) |
O4—K1—Cl1—Cr1 | 2.47 (3) | O2—K1—O5—C14 | 67.10 (17) |
O9i—K1—Cl1—Cr1 | −174.36 (8) | O3—K1—O5—C14 | −34.52 (10) |
O5—K1—Cl1—Cr1 | 60.33 (3) | O6—K1—O5—C14 | 144.26 (10) |
O1—K1—Cl1—Cr1 | 173.94 (2) | O7—K1—O5—C14 | −93.19 (9) |
O2—K1—Cl1—Cr1 | −127.39 (3) | Cl1—K1—O5—C14 | −148.86 (9) |
O3—K1—Cl1—Cr1 | −65.97 (3) | O4—K1—O6—C1 | 176.59 (8) |
O6—K1—Cl1—Cr1 | 117.11 (2) | O9i—K1—O6—C1 | −108.47 (9) |
O7—K1—Cl1—Cr1 | −11.39 (3) | O5—K1—O6—C1 | 159.08 (10) |
O4—K1—O1—C6 | 116.66 (11) | O1—K1—O6—C1 | −32.02 (8) |
O9i—K1—O1—C6 | 137.02 (10) | O2—K1—O6—C1 | −35.21 (10) |
O5—K1—O1—C6 | 42.33 (10) | O7—K1—O6—C1 | 97.70 (9) |
O2—K1—O1—C6 | −151.50 (10) | Cl1—K1—O6—C1 | 52.57 (8) |
O3—K1—O1—C6 | −148.80 (9) | O4—K1—O6—C16 | 33.67 (10) |
O6—K1—O1—C6 | 31.77 (9) | O9i—K1—O6—C16 | 108.62 (9) |
O7—K1—O1—C6 | −53.27 (11) | O5—K1—O6—C16 | 16.17 (8) |
Cl1—K1—O1—C6 | −47.01 (9) | O1—K1—O6—C16 | −174.94 (10) |
O4—K1—O1—C7 | −97.19 (11) | O2—K1—O6—C16 | −178.13 (9) |
O9i—K1—O1—C7 | −76.83 (10) | O7—K1—O6—C16 | −45.22 (9) |
O5—K1—O1—C7 | −171.52 (9) | Cl1—K1—O6—C16 | −90.35 (9) |
O2—K1—O1—C7 | −5.35 (9) | O9—Cr1—O7—K1 | −138.58 (5) |
O3—K1—O1—C7 | −2.65 (10) | O8—Cr1—O7—K1 | 97.44 (6) |
O6—K1—O1—C7 | 177.92 (11) | Cl1—Cr1—O7—K1 | −21.27 (5) |
O7—K1—O1—C7 | 92.88 (10) | O4—K1—O7—Cr1 | −152.17 (6) |
Cl1—K1—O1—C7 | 99.14 (9) | O9i—K1—O7—Cr1 | −172.98 (5) |
O4—K1—O2—C9 | 3.89 (9) | O5—K1—O7—Cr1 | −88.08 (5) |
O9i—K1—O2—C9 | −54.36 (9) | O1—K1—O7—Cr1 | 23.39 (7) |
O5—K1—O2—C9 | −74.89 (16) | O2—K1—O7—Cr1 | 96.78 (5) |
O1—K1—O2—C9 | −148.31 (9) | O3—K1—O7—Cr1 | 141.29 (6) |
O3—K1—O2—C9 | 34.29 (8) | O6—K1—O7—Cr1 | −36.68 (6) |
O6—K1—O2—C9 | −145.35 (8) | Cl1—K1—O7—Cr1 | 16.24 (4) |
O7—K1—O2—C9 | 83.84 (9) | O7—Cr1—O9—K1ii | −148.47 (8) |
Cl1—K1—O2—C9 | 141.10 (8) | O8—Cr1—O9—K1ii | −24.26 (11) |
O4—K1—O2—C8 | 123.33 (8) | Cl1—Cr1—O9—K1ii | 95.08 (9) |
O9i—K1—O2—C8 | 65.07 (9) | C16—O6—C1—C2 | −7.79 (19) |
O5—K1—O2—C8 | 44.54 (17) | K1—O6—C1—C2 | −149.51 (11) |
O1—K1—O2—C8 | −28.88 (8) | C16—O6—C1—C6 | 173.66 (12) |
O3—K1—O2—C8 | 153.73 (9) | K1—O6—C1—C6 | 31.94 (14) |
O6—K1—O2—C8 | −25.91 (9) | O6—C1—C2—C3 | −177.71 (13) |
O7—K1—O2—C8 | −156.73 (8) | C6—C1—C2—C3 | 0.8 (2) |
Cl1—K1—O2—C8 | −99.47 (8) | C1—C2—C3—C4 | −0.4 (2) |
O4—K1—O3—C11 | 20.13 (9) | C2—C3—C4—C5 | −0.4 (2) |
O9i—K1—O3—C11 | −55.33 (9) | C3—C4—C5—C6 | 0.8 (2) |
O5—K1—O3—C11 | 36.03 (10) | C7—O1—C6—C5 | 3.7 (2) |
O1—K1—O3—C11 | −131.92 (9) | K1—O1—C6—C5 | 149.47 (11) |
O2—K1—O3—C11 | −129.21 (10) | C7—O1—C6—C1 | −176.67 (12) |
O7—K1—O3—C11 | 97.37 (9) | K1—O1—C6—C1 | −30.94 (15) |
Cl1—K1—O3—C11 | 144.09 (9) | C4—C5—C6—O1 | 179.11 (14) |
O4—K1—O3—C10 | 146.55 (9) | C4—C5—C6—C1 | −0.5 (2) |
O9i—K1—O3—C10 | 71.09 (9) | O6—C1—C6—O1 | −1.34 (17) |
O5—K1—O3—C10 | 162.45 (8) | C2—C1—C6—O1 | −179.96 (12) |
O1—K1—O3—C10 | −5.50 (10) | O6—C1—C6—C5 | 178.27 (13) |
O2—K1—O3—C10 | −2.79 (8) | C2—C1—C6—C5 | −0.4 (2) |
O7—K1—O3—C10 | −136.21 (9) | C6—O1—C7—C8 | −175.05 (12) |
Cl1—K1—O3—C10 | −89.49 (9) | K1—O1—C7—C8 | 37.52 (14) |
O9i—K1—O4—C12 | 103.10 (10) | C9—O2—C8—C7 | −179.82 (11) |
O5—K1—O4—C12 | −149.09 (11) | K1—O2—C8—C7 | 63.10 (12) |
O1—K1—O4—C12 | 124.39 (11) | O1—C7—C8—O2 | −69.91 (15) |
O2—K1—O4—C12 | 45.60 (11) | C8—O2—C9—C10 | 178.76 (12) |
O3—K1—O4—C12 | 15.67 (10) | K1—O2—C9—C10 | −64.33 (12) |
O6—K1—O4—C12 | −166.36 (10) | C11—O3—C10—C9 | 95.81 (15) |
O7—K1—O4—C12 | −63.32 (10) | K1—O3—C10—C9 | −28.03 (14) |
Cl1—K1—O4—C12 | −75.75 (10) | O2—C9—C10—O3 | 64.16 (15) |
O9i—K1—O4—C13 | −124.36 (10) | C10—O3—C11—C12 | 179.04 (12) |
O5—K1—O4—C13 | −16.55 (9) | K1—O3—C11—C12 | −53.55 (13) |
O1—K1—O4—C13 | −103.07 (11) | C13—O4—C12—C11 | 176.86 (13) |
O2—K1—O4—C13 | 178.14 (9) | K1—O4—C12—C11 | −49.09 (14) |
O3—K1—O4—C13 | 148.21 (11) | O3—C11—C12—O4 | 71.66 (16) |
O6—K1—O4—C13 | −33.83 (11) | C12—O4—C13—C14 | −177.99 (13) |
O7—K1—O4—C13 | 69.22 (10) | K1—O4—C13—C14 | 48.74 (14) |
Cl1—K1—O4—C13 | 56.79 (11) | C15—O5—C14—C13 | 178.20 (12) |
O4—K1—O5—C15 | −143.98 (10) | K1—O5—C14—C13 | 50.80 (13) |
O9i—K1—O5—C15 | −77.91 (9) | O4—C13—C14—O5 | −67.39 (16) |
O1—K1—O5—C15 | 8.85 (10) | C14—O5—C15—C16 | −177.51 (12) |
O2—K1—O5—C15 | −58.40 (17) | K1—O5—C15—C16 | −51.82 (14) |
O3—K1—O5—C15 | −160.03 (9) | C1—O6—C16—C15 | 169.25 (12) |
O6—K1—O5—C15 | 18.76 (9) | K1—O6—C16—C15 | −47.33 (13) |
O7—K1—O5—C15 | 141.30 (9) | O5—C15—C16—O6 | 67.06 (15) |
Cl1—K1—O5—C15 | 85.63 (9) | | |
Symmetry codes: (i) x, y−1, z; (ii) x, y+1, z. |