Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805011797/hb6183sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805011797/hb6183Isup2.hkl |
Data collection: SMART (Bruker, 2002); cell refinement: SMART; data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL; software used to prepare material for publication: SHELXL97 (Sheldrick, 2001).
Cu4.76(1)In1.24(1)Pr | F(000) = 1031 |
Mr = 585.74 | Dx = 8.485 Mg m−3 |
Orthorhombic, Pnma | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2n | Cell parameters from 4154 reflections |
a = 8.4061 (7) Å | θ = 3.1–28.3° |
b = 5.0843 (4) Å | µ = 37.98 mm−1 |
c = 10.7278 (8) Å | T = 93 K |
V = 458.50 (6) Å3 | Plate, grey |
Z = 4 | 0.06 × 0.06 × 0.05 mm |
BRUKER SMART APEX 1000 diffractometer | 633 independent reflections |
Radiation source: fine-focus sealed tube | 560 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.033 |
Detector resolution: 8.3 pixels mm-1 | θmax = 28.3°, θmin = 3.1° |
ω scans | h = −11→11 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) | k = −6→6 |
Tmin = 0.124, Tmax = 0.150 | l = −14→13 |
4154 measured reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.016 | w = 1/[σ2(Fo2) + (0.0056P)2 + 1.7135P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.033 | (Δ/σ)max < 0.001 |
S = 1.14 | Δρmax = 1.26 e Å−3 |
633 reflections | Δρmin = −0.98 e Å−3 |
42 parameters | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction coefficient: 0.00370 (14) |
Experimental. Data collection is performed with four batch runs at φ = 0.00 ° (456 frames), at φ = 90.00 ° (456 frames), at φ = 180.00 ° (230 frames), and at φ = 270.00 (230 frames). Frame width = 0.40 \& in ω. Data is merged, corrected for decay, and treated with multi-scan absorption corrections. |
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. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Pr | 0.25568 (4) | 0.2500 | 0.44097 (3) | 0.00624 (11) | |
In1 | 0.13927 (5) | 0.2500 | 0.13686 (4) | 0.00587 (12) | |
Cu2 | 0.81579 (7) | 0.2500 | 0.74391 (6) | 0.0044 (2) | 0.763 (6) |
In2 | 0.81579 (7) | 0.2500 | 0.74391 (6) | 0.0044 (2) | 0.237 (6) |
Cu3 | 0.55754 (9) | 0.2500 | 0.60362 (7) | 0.00706 (17) | |
Cu4 | 0.91654 (8) | 0.2500 | 0.51499 (7) | 0.00542 (17) | |
Cu5 | 0.43325 (6) | 0.00316 (10) | 0.18790 (5) | 0.00543 (13) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pr | 0.00590 (17) | 0.00485 (18) | 0.0080 (2) | 0.000 | −0.00050 (13) | 0.000 |
In1 | 0.0049 (2) | 0.0081 (2) | 0.0046 (2) | 0.000 | 0.00006 (15) | 0.000 |
Cu2 | 0.0044 (3) | 0.0040 (4) | 0.0048 (4) | 0.000 | 0.0000 (2) | 0.000 |
In2 | 0.0044 (3) | 0.0040 (4) | 0.0048 (4) | 0.000 | 0.0000 (2) | 0.000 |
Cu3 | 0.0096 (4) | 0.0062 (4) | 0.0054 (4) | 0.000 | 0.0004 (3) | 0.000 |
Cu4 | 0.0071 (3) | 0.0040 (4) | 0.0051 (4) | 0.000 | −0.0010 (3) | 0.000 |
Cu5 | 0.0075 (3) | 0.0042 (3) | 0.0046 (3) | 0.00072 (19) | −0.00013 (19) | 0.0004 (2) |
Pr—Cu4i | 2.9594 (8) | Cu2—Prii | 3.2798 (5) |
Pr—Cu4ii | 2.9634 (4) | Cu2—Priii | 3.2798 (5) |
Pr—Cu4iii | 2.9634 (4) | Cu2—Prxii | 3.4182 (8) |
Pr—Cu3ii | 3.0260 (5) | Cu3—Cu5iii | 2.5816 (9) |
Pr—Cu3iii | 3.0260 (5) | Cu3—Cu5xi | 2.5816 (9) |
Pr—Cu3 | 3.0795 (8) | Cu3—In2xiii | 2.6087 (10) |
Pr—In2ii | 3.2798 (5) | Cu3—Cu2xiii | 2.6087 (10) |
Pr—Cu2ii | 3.2798 (5) | Cu3—In1xiv | 2.6697 (9) |
Pr—Cu2iii | 3.2798 (5) | Cu3—Prii | 3.0260 (5) |
Pr—In2iii | 3.2798 (5) | Cu3—Priii | 3.0260 (5) |
Pr—Cu5iv | 3.2913 (6) | Cu3—In1xv | 3.0539 (5) |
Pr—Cu5v | 3.2913 (6) | Cu3—In1xvi | 3.0540 (5) |
In1—Cu3iv | 2.6697 (9) | Cu4—Cu5xiv | 2.5164 (9) |
In1—Cu5vi | 2.8252 (7) | Cu4—Cu5xvii | 2.5164 (9) |
In1—Cu5 | 2.8252 (7) | Cu4—Cu5ix | 2.5869 (8) |
In1—Cu4iv | 2.8436 (9) | Cu4—Cu5x | 2.5869 (8) |
In1—Cu5iv | 2.8476 (6) | Cu4—In1xiv | 2.8436 (9) |
In1—Cu5v | 2.8476 (6) | Cu4—Cu4xviii | 2.9214 (7) |
In1—In2ii | 2.8708 (4) | Cu4—Cu4xix | 2.9214 (7) |
In1—Cu2ii | 2.8708 (4) | Cu4—Prxx | 2.9594 (8) |
In1—Cu2iii | 2.8708 (4) | Cu4—Prii | 2.9634 (4) |
In1—In2iii | 2.8708 (4) | Cu4—Priii | 2.9634 (4) |
In1—Cu3vii | 3.0540 (5) | Cu5—Cu5vi | 2.5100 (11) |
In1—Cu3viii | 3.0540 (5) | Cu5—Cu4iv | 2.5164 (9) |
Cu2—Cu5ix | 2.5432 (7) | Cu5—In2xxi | 2.5433 (7) |
Cu2—Cu5x | 2.5433 (7) | Cu5—Cu2xxi | 2.5433 (7) |
Cu2—Cu5iii | 2.5640 (7) | Cu5—In2iii | 2.5640 (7) |
Cu2—Cu5xi | 2.5640 (7) | Cu5—Cu2iii | 2.5640 (7) |
Cu2—Cu4 | 2.5977 (10) | Cu5—Cu5xxii | 2.5743 (11) |
Cu2—Cu3xii | 2.6087 (10) | Cu5—Cu3iii | 2.5816 (9) |
Cu2—Cu3 | 2.6415 (10) | Cu5—Cu4xxi | 2.5870 (8) |
Cu2—In1ii | 2.8708 (4) | Cu5—In1xiv | 2.8476 (6) |
Cu2—In1iii | 2.8708 (4) | Cu5—Prxiv | 3.2913 (6) |
Cu4i—Pr—Cu4ii | 59.110 (13) | Cu5ix—Cu2—Prxii | 110.87 (2) |
Cu4i—Pr—Cu4iii | 59.109 (13) | Cu5x—Cu2—Prxii | 110.87 (2) |
Cu4ii—Pr—Cu4iii | 118.15 (3) | Cu5iii—Cu2—Prxii | 66.243 (19) |
Cu4i—Pr—Cu3ii | 122.838 (14) | Cu5xi—Cu2—Prxii | 66.243 (19) |
Cu4ii—Pr—Cu3ii | 63.769 (18) | Cu4—Cu2—Prxii | 169.47 (3) |
Cu4iii—Pr—Cu3ii | 177.98 (2) | Cu3xii—Cu2—Prxii | 59.67 (2) |
Cu4i—Pr—Cu3iii | 122.838 (14) | Cu3—Cu2—Prxii | 116.23 (3) |
Cu4ii—Pr—Cu3iii | 177.98 (2) | In1ii—Cu2—Prxii | 65.087 (15) |
Cu4iii—Pr—Cu3iii | 63.768 (18) | In1iii—Cu2—Prxii | 65.087 (15) |
Cu3ii—Pr—Cu3iii | 114.30 (3) | Prii—Cu2—Prxii | 124.819 (12) |
Cu4i—Pr—Cu3 | 129.92 (2) | Priii—Cu2—Prxii | 124.819 (12) |
Cu4ii—Pr—Cu3 | 108.192 (17) | Cu5iii—Cu3—Cu5xi | 59.81 (3) |
Cu4iii—Pr—Cu3 | 108.192 (17) | Cu5iii—Cu3—In2xiii | 58.68 (2) |
Cu3ii—Pr—Cu3 | 70.246 (18) | Cu5xi—Cu3—In2xiii | 58.68 (2) |
Cu3iii—Pr—Cu3 | 70.246 (18) | Cu5iii—Cu3—Cu2xiii | 58.68 (2) |
Cu4i—Pr—In2ii | 89.186 (16) | Cu5xi—Cu3—Cu2xiii | 58.68 (2) |
Cu4ii—Pr—In2ii | 48.853 (18) | In2xiii—Cu3—Cu2xiii | 0.000 (16) |
Cu4iii—Pr—In2ii | 132.21 (2) | Cu5iii—Cu3—Cu2 | 58.79 (2) |
Cu3ii—Pr—In2ii | 49.330 (17) | Cu5xi—Cu3—Cu2 | 58.79 (2) |
Cu3iii—Pr—In2ii | 130.59 (2) | In2xiii—Cu3—Cu2 | 106.44 (3) |
Cu3—Pr—In2ii | 119.576 (13) | Cu2xiii—Cu3—Cu2 | 106.44 (3) |
Cu4i—Pr—Cu2ii | 89.186 (16) | Cu5iii—Cu3—In1xiv | 146.04 (2) |
Cu4ii—Pr—Cu2ii | 48.853 (18) | Cu5xi—Cu3—In1xiv | 146.04 (2) |
Cu4iii—Pr—Cu2ii | 132.21 (2) | In2xiii—Cu3—In1xiv | 143.75 (4) |
Cu3ii—Pr—Cu2ii | 49.330 (17) | Cu2xiii—Cu3—In1xiv | 143.75 (4) |
Cu3iii—Pr—Cu2ii | 130.59 (2) | Cu2—Cu3—In1xiv | 109.82 (3) |
Cu3—Pr—Cu2ii | 119.576 (13) | Cu5iii—Cu3—Prii | 122.70 (3) |
In2ii—Pr—Cu2ii | 0.00 (3) | Cu5xi—Cu3—Prii | 72.693 (17) |
Cu4i—Pr—Cu2iii | 89.186 (16) | In2xiii—Cu3—Prii | 120.220 (16) |
Cu4ii—Pr—Cu2iii | 132.21 (2) | Cu2xiii—Cu3—Prii | 120.220 (16) |
Cu4iii—Pr—Cu2iii | 48.853 (18) | Cu2—Cu3—Prii | 70.344 (17) |
Cu3ii—Pr—Cu2iii | 130.59 (2) | In1xiv—Cu3—Prii | 73.365 (17) |
Cu3iii—Pr—Cu2iii | 49.330 (17) | Cu5iii—Cu3—Priii | 72.693 (17) |
Cu3—Pr—Cu2iii | 119.576 (13) | Cu5xi—Cu3—Priii | 122.70 (3) |
In2ii—Pr—Cu2iii | 101.63 (2) | In2xiii—Cu3—Priii | 120.219 (16) |
Cu2ii—Pr—Cu2iii | 101.63 (2) | Cu2xiii—Cu3—Priii | 120.219 (16) |
Cu4i—Pr—In2iii | 89.186 (16) | Cu2—Cu3—Priii | 70.344 (17) |
Cu4ii—Pr—In2iii | 132.21 (2) | In1xiv—Cu3—Priii | 73.364 (17) |
Cu4iii—Pr—In2iii | 48.853 (18) | Prii—Cu3—Priii | 114.30 (3) |
Cu3ii—Pr—In2iii | 130.59 (2) | Cu5iii—Cu3—In1xv | 109.28 (3) |
Cu3iii—Pr—In2iii | 49.330 (17) | Cu5xi—Cu3—In1xv | 60.005 (17) |
Cu3—Pr—In2iii | 119.576 (13) | In2xiii—Cu3—In1xv | 60.316 (15) |
In2ii—Pr—In2iii | 101.63 (2) | Cu2xiii—Cu3—In1xv | 60.316 (15) |
Cu2ii—Pr—In2iii | 101.63 (2) | Cu2—Cu3—In1xv | 112.251 (19) |
Cu2iii—Pr—In2iii | 0.00 (3) | In1xiv—Cu3—In1xv | 104.611 (19) |
Cu4i—Pr—Cu5iv | 47.109 (17) | Prii—Cu3—In1xv | 66.436 (10) |
Cu4ii—Pr—Cu5iv | 89.528 (18) | Priii—Cu3—In1xv | 177.26 (3) |
Cu4iii—Pr—Cu5iv | 48.513 (17) | Cu5iii—Cu3—In1xvi | 60.005 (17) |
Cu3ii—Pr—Cu5iv | 132.941 (19) | Cu5xi—Cu3—In1xvi | 109.28 (3) |
Cu3iii—Pr—Cu5iv | 92.325 (17) | In2xiii—Cu3—In1xvi | 60.316 (15) |
Cu3—Pr—Cu5iv | 156.429 (12) | Cu2xiii—Cu3—In1xvi | 60.316 (15) |
In2ii—Pr—Cu5iv | 83.725 (16) | Cu2—Cu3—In1xvi | 112.251 (19) |
Cu2ii—Pr—Cu5iv | 83.725 (16) | In1xiv—Cu3—In1xvi | 104.611 (19) |
Cu2iii—Pr—Cu5iv | 45.541 (14) | Prii—Cu3—In1xvi | 177.26 (3) |
In2iii—Pr—Cu5iv | 45.541 (14) | Priii—Cu3—In1xvi | 66.435 (10) |
Cu4i—Pr—Cu5v | 47.109 (17) | In1xv—Cu3—In1xvi | 112.69 (3) |
Cu4ii—Pr—Cu5v | 48.513 (17) | Cu5iii—Cu3—Pr | 121.04 (3) |
Cu4iii—Pr—Cu5v | 89.528 (18) | Cu5xi—Cu3—Pr | 121.04 (3) |
Cu3ii—Pr—Cu5v | 92.325 (17) | In2xiii—Cu3—Pr | 73.35 (2) |
Cu3iii—Pr—Cu5v | 132.941 (19) | Cu2xiii—Cu3—Pr | 73.35 (2) |
Cu3—Pr—Cu5v | 156.428 (12) | Cu2—Cu3—Pr | 179.78 (3) |
In2ii—Pr—Cu5v | 45.541 (14) | In1xiv—Cu3—Pr | 70.40 (2) |
Cu2ii—Pr—Cu5v | 45.541 (14) | Prii—Cu3—Pr | 109.754 (18) |
Cu2iii—Pr—Cu5v | 83.725 (15) | Priii—Cu3—Pr | 109.754 (18) |
In2iii—Pr—Cu5v | 83.725 (15) | In1xv—Cu3—Pr | 67.654 (16) |
Cu5iv—Pr—Cu5v | 44.83 (2) | In1xvi—Cu3—Pr | 67.654 (16) |
Cu3iv—In1—Cu5vi | 114.36 (2) | Cu5xiv—Cu4—Cu5xvii | 59.83 (3) |
Cu3iv—In1—Cu5 | 114.36 (2) | Cu5xiv—Cu4—Cu5ix | 110.174 (19) |
Cu5vi—In1—Cu5 | 52.75 (2) | Cu5xvii—Cu4—Cu5ix | 147.26 (3) |
Cu3iv—In1—Cu4iv | 69.96 (2) | Cu5xiv—Cu4—Cu5x | 147.26 (3) |
Cu5vi—In1—Cu4iv | 52.707 (19) | Cu5xvii—Cu4—Cu5x | 110.174 (19) |
Cu5—In1—Cu4iv | 52.706 (19) | Cu5ix—Cu4—Cu5x | 59.68 (3) |
Cu3iv—In1—Cu5iv | 118.78 (2) | Cu5xiv—Cu4—Cu2 | 146.71 (2) |
Cu5vi—In1—Cu5iv | 126.856 (18) | Cu5xvii—Cu4—Cu2 | 146.71 (2) |
Cu5—In1—Cu5iv | 102.020 (17) | Cu5ix—Cu4—Cu2 | 58.75 (2) |
Cu4iv—In1—Cu5iv | 151.248 (14) | Cu5x—Cu4—Cu2 | 58.75 (2) |
Cu3iv—In1—Cu5v | 118.78 (2) | Cu5xiv—Cu4—In1xiv | 63.27 (2) |
Cu5vi—In1—Cu5v | 102.019 (17) | Cu5xvii—Cu4—In1xiv | 63.27 (2) |
Cu5—In1—Cu5v | 126.857 (18) | Cu5ix—Cu4—In1xiv | 144.18 (2) |
Cu4iv—In1—Cu5v | 151.248 (14) | Cu5x—Cu4—In1xiv | 144.18 (2) |
Cu5iv—In1—Cu5v | 52.30 (2) | Cu2—Cu4—In1xiv | 105.92 (3) |
Cu3iv—In1—In2ii | 117.673 (14) | Cu5xiv—Cu4—Cu4xviii | 108.18 (4) |
Cu5vi—In1—In2ii | 53.498 (17) | Cu5xvii—Cu4—Cu4xviii | 56.22 (2) |
Cu5—In1—In2ii | 101.06 (2) | Cu5ix—Cu4—Cu4xviii | 106.11 (4) |
Cu4iv—In1—In2ii | 98.476 (17) | Cu5x—Cu4—Cu4xviii | 53.95 (2) |
Cu5iv—In1—In2ii | 100.15 (2) | Cu2—Cu4—Cu4xviii | 105.11 (3) |
Cu5v—In1—In2ii | 52.814 (17) | In1xiv—Cu4—Cu4xviii | 109.31 (3) |
Cu3iv—In1—Cu2ii | 117.673 (14) | Cu5xiv—Cu4—Cu4xix | 56.22 (2) |
Cu5vi—In1—Cu2ii | 53.498 (17) | Cu5xvii—Cu4—Cu4xix | 108.18 (4) |
Cu5—In1—Cu2ii | 101.06 (2) | Cu5ix—Cu4—Cu4xix | 53.95 (2) |
Cu4iv—In1—Cu2ii | 98.476 (17) | Cu5x—Cu4—Cu4xix | 106.11 (4) |
Cu5iv—In1—Cu2ii | 100.15 (2) | Cu2—Cu4—Cu4xix | 105.11 (3) |
Cu5v—In1—Cu2ii | 52.814 (17) | In1xiv—Cu4—Cu4xix | 109.31 (3) |
In2ii—In1—Cu2ii | 0.00 (3) | Cu4xviii—Cu4—Cu4xix | 120.96 (5) |
Cu3iv—In1—Cu2iii | 117.672 (14) | Cu5xiv—Cu4—Prxx | 73.39 (2) |
Cu5vi—In1—Cu2iii | 101.06 (2) | Cu5xvii—Cu4—Prxx | 73.39 (2) |
Cu5—In1—Cu2iii | 53.499 (17) | Cu5ix—Cu4—Prxx | 73.87 (2) |
Cu4iv—In1—Cu2iii | 98.475 (17) | Cu5x—Cu4—Prxx | 73.87 (2) |
Cu5iv—In1—Cu2iii | 52.815 (17) | Cu2—Cu4—Prxx | 124.59 (3) |
Cu5v—In1—Cu2iii | 100.15 (2) | In1xiv—Cu4—Prxx | 129.49 (3) |
In2ii—In1—Cu2iii | 124.63 (3) | Cu4xviii—Cu4—Prxx | 60.51 (2) |
Cu2ii—In1—Cu2iii | 124.63 (3) | Cu4xix—Cu4—Prxx | 60.51 (2) |
Cu3iv—In1—In2iii | 117.672 (14) | Cu5xiv—Cu4—Prii | 126.37 (3) |
Cu5vi—In1—In2iii | 101.06 (2) | Cu5xvii—Cu4—Prii | 74.771 (17) |
Cu5—In1—In2iii | 53.499 (17) | Cu5ix—Cu4—Prii | 123.43 (3) |
Cu4iv—In1—In2iii | 98.475 (17) | Cu5x—Cu4—Prii | 72.380 (17) |
Cu5iv—In1—In2iii | 52.815 (17) | Cu2—Cu4—Prii | 71.940 (17) |
Cu5v—In1—In2iii | 100.15 (2) | In1xiv—Cu4—Prii | 71.995 (16) |
In2ii—In1—In2iii | 124.63 (3) | Cu4xviii—Cu4—Prii | 60.378 (15) |
Cu2ii—In1—In2iii | 124.63 (3) | Cu4xix—Cu4—Prii | 177.05 (4) |
Cu2iii—In1—In2iii | 0.00 (2) | Prxx—Cu4—Prii | 120.892 (13) |
Cu3iv—In1—Cu3vii | 75.389 (19) | Cu5xiv—Cu4—Priii | 74.771 (17) |
Cu5vi—In1—Cu3vii | 97.279 (17) | Cu5xvii—Cu4—Priii | 126.37 (3) |
Cu5—In1—Cu3vii | 150.026 (19) | Cu5ix—Cu4—Priii | 72.380 (17) |
Cu4iv—In1—Cu3vii | 112.156 (18) | Cu5x—Cu4—Priii | 123.43 (3) |
Cu5iv—In1—Cu3vii | 96.57 (2) | Cu2—Cu4—Priii | 71.940 (17) |
Cu5v—In1—Cu3vii | 51.739 (19) | In1xiv—Cu4—Priii | 71.995 (16) |
In2ii—In1—Cu3vii | 52.135 (17) | Cu4xviii—Cu4—Priii | 177.05 (4) |
Cu2ii—In1—Cu3vii | 52.135 (17) | Cu4xix—Cu4—Priii | 60.377 (15) |
Cu2iii—In1—Cu3vii | 149.37 (2) | Prxx—Cu4—Priii | 120.891 (13) |
In2iii—In1—Cu3vii | 149.37 (2) | Prii—Cu4—Priii | 118.15 (3) |
Cu3iv—In1—Cu3viii | 75.389 (19) | Cu5vi—Cu5—Cu4iv | 60.085 (15) |
Cu5vi—In1—Cu3viii | 150.026 (19) | Cu5vi—Cu5—In2xxi | 120.405 (14) |
Cu5—In1—Cu3viii | 97.279 (17) | Cu4iv—Cu5—In2xxi | 120.20 (3) |
Cu4iv—In1—Cu3viii | 112.155 (18) | Cu5vi—Cu5—Cu2xxi | 120.405 (14) |
Cu5iv—In1—Cu3viii | 51.739 (19) | Cu4iv—Cu5—Cu2xxi | 120.20 (3) |
Cu5v—In1—Cu3viii | 96.57 (2) | In2xxi—Cu5—Cu2xxi | 0.00 (3) |
In2ii—In1—Cu3viii | 149.37 (2) | Cu5vi—Cu5—In2iii | 120.133 (14) |
Cu2ii—In1—Cu3viii | 149.37 (2) | Cu4iv—Cu5—In2iii | 116.84 (3) |
Cu2iii—In1—Cu3viii | 52.135 (17) | In2xxi—Cu5—In2iii | 110.84 (2) |
In2iii—In1—Cu3viii | 52.135 (17) | Cu2xxi—Cu5—In2iii | 110.84 (2) |
Cu3vii—In1—Cu3viii | 112.69 (3) | Cu5vi—Cu5—Cu2iii | 120.133 (14) |
Cu5ix—Cu2—Cu5x | 60.81 (3) | Cu4iv—Cu5—Cu2iii | 116.84 (3) |
Cu5ix—Cu2—Cu5iii | 119.38 (2) | In2xxi—Cu5—Cu2iii | 110.84 (2) |
Cu5x—Cu2—Cu5iii | 177.08 (3) | Cu2xxi—Cu5—Cu2iii | 110.84 (2) |
Cu5ix—Cu2—Cu5xi | 177.08 (3) | In2iii—Cu5—Cu2iii | 0.00 (3) |
Cu5x—Cu2—Cu5xi | 119.38 (2) | Cu5vi—Cu5—Cu5xxii | 180.0 |
Cu5iii—Cu2—Cu5xi | 60.26 (3) | Cu4iv—Cu5—Cu5xxii | 119.916 (15) |
Cu5ix—Cu2—Cu4 | 60.41 (2) | In2xxi—Cu5—Cu5xxii | 59.596 (14) |
Cu5x—Cu2—Cu4 | 60.41 (2) | Cu2xxi—Cu5—Cu5xxii | 59.596 (14) |
Cu5iii—Cu2—Cu4 | 122.41 (3) | In2iii—Cu5—Cu5xxii | 59.866 (14) |
Cu5xi—Cu2—Cu4 | 122.41 (3) | Cu2iii—Cu5—Cu5xxii | 59.866 (14) |
Cu5ix—Cu2—Cu3xii | 60.13 (2) | Cu5vi—Cu5—Cu3iii | 119.906 (15) |
Cu5x—Cu2—Cu3xii | 60.13 (2) | Cu4iv—Cu5—Cu3iii | 178.52 (3) |
Cu5iii—Cu2—Cu3xii | 117.20 (3) | In2xxi—Cu5—Cu3iii | 61.19 (2) |
Cu5xi—Cu2—Cu3xii | 117.20 (3) | Cu2xxi—Cu5—Cu3iii | 61.19 (2) |
Cu4—Cu2—Cu3xii | 109.80 (3) | In2iii—Cu5—Cu3iii | 61.77 (2) |
Cu5ix—Cu2—Cu3 | 123.17 (3) | Cu2iii—Cu5—Cu3iii | 61.77 (2) |
Cu5x—Cu2—Cu3 | 123.17 (3) | Cu5xxii—Cu5—Cu3iii | 60.093 (15) |
Cu5iii—Cu2—Cu3 | 59.44 (2) | Cu5vi—Cu5—Cu4xxi | 119.839 (15) |
Cu5xi—Cu2—Cu3 | 59.44 (2) | Cu4iv—Cu5—Cu4xxi | 69.826 (19) |
Cu4—Cu2—Cu3 | 74.30 (3) | In2xxi—Cu5—Cu4xxi | 60.84 (2) |
Cu3xii—Cu2—Cu3 | 175.90 (3) | Cu2xxi—Cu5—Cu4xxi | 60.84 (2) |
Cu5ix—Cu2—In1ii | 116.38 (2) | In2iii—Cu5—Cu4xxi | 110.69 (2) |
Cu5x—Cu2—In1ii | 63.123 (16) | Cu2iii—Cu5—Cu4xxi | 110.69 (2) |
Cu5iii—Cu2—In1ii | 115.14 (2) | Cu5xxii—Cu5—Cu4xxi | 60.162 (15) |
Cu5xi—Cu2—In1ii | 62.341 (16) | Cu3iii—Cu5—Cu4xxi | 111.01 (3) |
Cu4—Cu2—In1ii | 112.230 (16) | Cu5vi—Cu5—In1 | 63.626 (12) |
Cu3xii—Cu2—In1ii | 67.548 (15) | Cu4iv—Cu5—In1 | 64.02 (2) |
Cu3—Cu2—In1ii | 111.224 (15) | In2xxi—Cu5—In1 | 174.98 (3) |
Cu5ix—Cu2—In1iii | 63.124 (16) | Cu2xxi—Cu5—In1 | 174.98 (3) |
Cu5x—Cu2—In1iii | 116.38 (2) | In2iii—Cu5—In1 | 64.161 (17) |
Cu5iii—Cu2—In1iii | 62.341 (16) | Cu2iii—Cu5—In1 | 64.161 (17) |
Cu5xi—Cu2—In1iii | 115.14 (2) | Cu5xxii—Cu5—In1 | 116.373 (12) |
Cu4—Cu2—In1iii | 112.230 (16) | Cu3iii—Cu5—In1 | 114.56 (3) |
Cu3xii—Cu2—In1iii | 67.548 (15) | Cu4xxi—Cu5—In1 | 120.60 (3) |
Cu3—Cu2—In1iii | 111.224 (15) | Cu5vi—Cu5—In1xiv | 63.850 (12) |
In1ii—Cu2—In1iii | 124.63 (3) | Cu4iv—Cu5—In1xiv | 112.65 (2) |
Cu5ix—Cu2—Prii | 113.67 (2) | In2xxi—Cu5—In1xiv | 64.062 (17) |
Cu5x—Cu2—Prii | 67.470 (16) | Cu2xxi—Cu5—In1xiv | 64.062 (17) |
Cu5iii—Cu2—Prii | 114.33 (2) | In2iii—Cu5—In1xiv | 121.97 (3) |
Cu5xi—Cu2—Prii | 68.523 (16) | Cu2iii—Cu5—In1xiv | 121.97 (3) |
Cu4—Cu2—Prii | 59.207 (14) | Cu5xxii—Cu5—In1xiv | 116.150 (12) |
Cu3xii—Cu2—Prii | 121.458 (14) | Cu3iii—Cu5—In1xiv | 68.256 (19) |
Cu3—Cu2—Prii | 60.326 (14) | Cu4xxi—Cu5—In1xiv | 113.32 (3) |
In1ii—Cu2—Prii | 66.871 (11) | In1—Cu5—In1xiv | 117.66 (2) |
In1iii—Cu2—Prii | 168.50 (2) | Cu5vi—Cu5—Prxiv | 67.586 (10) |
Cu5ix—Cu2—Priii | 67.470 (16) | Cu4iv—Cu5—Prxiv | 59.50 (2) |
Cu5x—Cu2—Priii | 113.67 (2) | In2xxi—Cu5—Prxiv | 66.989 (17) |
Cu5iii—Cu2—Priii | 68.523 (16) | Cu2xxi—Cu5—Prxiv | 66.989 (17) |
Cu5xi—Cu2—Priii | 114.33 (2) | In2iii—Cu5—Prxiv | 169.61 (2) |
Cu4—Cu2—Priii | 59.207 (14) | Cu2iii—Cu5—Prxiv | 169.61 (2) |
Cu3xii—Cu2—Priii | 121.457 (14) | Cu5xxii—Cu5—Prxiv | 112.415 (10) |
Cu3—Cu2—Priii | 60.326 (14) | Cu3iii—Cu5—Prxiv | 121.96 (3) |
In1ii—Cu2—Priii | 168.50 (2) | Cu4xxi—Cu5—Prxiv | 59.106 (16) |
In1iii—Cu2—Priii | 66.870 (11) | In1—Cu5—Prxiv | 118.003 (19) |
Prii—Cu2—Priii | 101.63 (2) | In1xiv—Cu5—Prxiv | 66.946 (16) |
Symmetry codes: (i) x−1, y, z; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y, −z+1; (iv) x−1/2, y, −z+1/2; (v) x−1/2, −y+1/2, −z+1/2; (vi) x, −y+1/2, z; (vii) −x+1/2, −y+1, z−1/2; (viii) −x+1/2, −y, z−1/2; (ix) −x+3/2, −y, z+1/2; (x) −x+3/2, y+1/2, z+1/2; (xi) −x+1, y+1/2, −z+1; (xii) x+1/2, y, −z+3/2; (xiii) x−1/2, y, −z+3/2; (xiv) x+1/2, y, −z+1/2; (xv) −x+1/2, −y+1, z+1/2; (xvi) −x+1/2, −y, z+1/2; (xvii) x+1/2, −y+1/2, −z+1/2; (xviii) −x+2, −y+1, −z+1; (xix) −x+2, −y, −z+1; (xx) x+1, y, z; (xxi) −x+3/2, −y, z−1/2; (xxii) x, −y−1/2, z. |