Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804015132/cv6334sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804015132/cv6334Isup2.hkl |
CCDC reference: 245160
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.009 Å
- R factor = 0.035
- wR factor = 0.084
- Data-to-parameter ratio = 8.1
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT242_ALERT_2_B Check Low U(eq) as Compared to Neighbors .... Cr1
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O9 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT850_ALERT_2_C Check Flack Parameter Exact Value 0.00 and su .. 0.04
Alert level G REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 25.05 From the CIF: _reflns_number_total 2040 Count of symmetry unique reflns 2060 Completeness (_total/calc) 99.03% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: P3 (Siemens, 1989); cell refinement: P3; data reduction: XDISK (Siemens, 1991); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Siemens, 1991); software used to prepare material for publication: SHELXL97.
[K(C16H30O6)][CrClO3] | F(000) = 1032 |
Mr = 492.95 | Dx = 1.463 Mg m−3 |
Orthorhombic, Pca21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2c -2ac | Cell parameters from 24 reflections |
a = 14.693 (4) Å | θ = 12–18° |
b = 9.221 (3) Å | µ = 0.86 mm−1 |
c = 16.515 (5) Å | T = 293 K |
V = 2237.5 (12) Å3 | Prismatic, orange |
Z = 4 | 0.3 × 0.2 × 0.15 mm |
Siemens P3/PC diffractometer | Rint = 0.000 |
Radiation source: fine-focus sealed tube | θmax = 25.1°, θmin = 2.2° |
Graphite monochromator | h = 0→17 |
θ–2θ scans | k = 0→10 |
2040 measured reflections | l = −19→0 |
2040 independent reflections | 2 standard reflections every 98 reflections |
1405 reflections with I > 2σ(I) | intensity decay: 3% |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.035 | H-atom parameters constrained |
wR(F2) = 0.084 | w = 1/[σ2(Fo2) + (0.0557P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.94 | (Δ/σ)max < 0.001 |
2040 reflections | Δρmax = 0.21 e Å−3 |
253 parameters | Δρmin = −0.26 e Å−3 |
1 restraint | Absolute structure: Flack (1983), 0 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.00 (4) |
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. For the inverted structure the Flack parameter is 0.21 (4) and _refine_ls_R_factor_gt rises from 0.0350 up to 0.0361. |
x | y | z | Uiso*/Ueq | ||
Cr1 | −0.00292 (5) | 0.34130 (9) | 0.30046 (7) | 0.0446 (2) | |
Cl1 | −0.10846 (10) | 0.44295 (17) | 0.37602 (10) | 0.0592 (4) | |
K1 | −0.13013 (8) | 0.10858 (12) | 0.14825 (8) | 0.0457 (3) | |
O1 | −0.0009 (2) | −0.0443 (3) | 0.0481 (2) | 0.0405 (8) | |
O2 | −0.1202 (2) | −0.1941 (4) | 0.1562 (2) | 0.0474 (9) | |
O3 | −0.2352 (3) | −0.0486 (4) | 0.2613 (2) | 0.0561 (10) | |
O4 | −0.2998 (2) | 0.2205 (4) | 0.2086 (3) | 0.0593 (10) | |
O5 | −0.1969 (2) | 0.3718 (4) | 0.0919 (3) | 0.0580 (11) | |
O6 | −0.0659 (2) | 0.2200 (4) | 0.0020 (2) | 0.0452 (9) | |
O7 | 0.0905 (3) | 0.3557 (6) | 0.3485 (3) | 0.0908 (17) | |
O8 | 0.0003 (4) | 0.4250 (6) | 0.2167 (3) | 0.0959 (18) | |
O9 | −0.0282 (3) | 0.1750 (4) | 0.2864 (3) | 0.0754 (13) | |
C1 | 0.0244 (3) | 0.1789 (6) | −0.0189 (3) | 0.0422 (13) | |
H1A | 0.0388 | 0.2218 | −0.0716 | 0.051* | |
C2 | 0.0273 (3) | 0.0175 (6) | −0.0277 (3) | 0.0383 (12) | |
H2A | −0.0152 | −0.0123 | −0.0702 | 0.046* | |
C3 | −0.0232 (4) | −0.1947 (5) | 0.0423 (4) | 0.0562 (16) | |
H3A | 0.0261 | −0.2470 | 0.0162 | 0.067* | |
H3B | −0.0778 | −0.2071 | 0.0100 | 0.067* | |
C4 | −0.0380 (4) | −0.2519 (6) | 0.1243 (4) | 0.0562 (16) | |
H4A | −0.0417 | −0.3569 | 0.1225 | 0.067* | |
H4B | 0.0126 | −0.2253 | 0.1589 | 0.067* | |
C5 | −0.1405 (4) | −0.2480 (6) | 0.2342 (4) | 0.0595 (16) | |
H5A | −0.0968 | −0.2108 | 0.2730 | 0.071* | |
H5B | −0.1364 | −0.3530 | 0.2342 | 0.071* | |
C6 | −0.2325 (5) | −0.2034 (7) | 0.2577 (4) | 0.0658 (18) | |
H6A | −0.2764 | −0.2383 | 0.2183 | 0.079* | |
H6B | −0.2479 | −0.2440 | 0.3101 | 0.079* | |
C7 | −0.3205 (4) | 0.0058 (8) | 0.2844 (5) | 0.0689 (18) | |
H7B | −0.3372 | −0.0325 | 0.3370 | 0.083* | |
H7C | −0.3663 | −0.0240 | 0.2455 | 0.083* | |
C8 | −0.3161 (4) | 0.1658 (8) | 0.2879 (5) | 0.075 (2) | |
H8B | −0.3730 | 0.2041 | 0.3087 | 0.090* | |
H8C | −0.2675 | 0.1957 | 0.3240 | 0.090* | |
C9 | −0.2959 (4) | 0.3741 (7) | 0.2056 (5) | 0.0697 (19) | |
H9A | −0.2453 | 0.4089 | 0.2380 | 0.084* | |
H9B | −0.3517 | 0.4151 | 0.2272 | 0.084* | |
C10 | −0.2841 (4) | 0.4180 (7) | 0.1216 (5) | 0.073 (2) | |
H10A | −0.3319 | 0.3755 | 0.0888 | 0.088* | |
H10B | −0.2888 | 0.5227 | 0.1175 | 0.088* | |
C11 | −0.1823 (4) | 0.3979 (7) | 0.0090 (5) | 0.0650 (18) | |
H11A | −0.1969 | 0.4980 | −0.0036 | 0.078* | |
H11B | −0.2217 | 0.3358 | −0.0230 | 0.078* | |
C12 | −0.0859 (4) | 0.3683 (6) | −0.0111 (5) | 0.0656 (18) | |
H12A | −0.0745 | 0.3929 | −0.0673 | 0.079* | |
H12B | −0.0466 | 0.4279 | 0.0224 | 0.079* | |
C13 | 0.0942 (4) | 0.2337 (6) | 0.0423 (4) | 0.0540 (14) | |
H13A | 0.0923 | 0.3388 | 0.0444 | 0.065* | |
H13B | 0.0794 | 0.1969 | 0.0957 | 0.065* | |
C14 | 0.1898 (4) | 0.1839 (7) | 0.0185 (4) | 0.0637 (18) | |
H14A | 0.2071 | 0.2294 | −0.0321 | 0.076* | |
H14B | 0.2329 | 0.2141 | 0.0597 | 0.076* | |
C15 | 0.1935 (4) | 0.0221 (7) | 0.0093 (4) | 0.0581 (16) | |
H15A | 0.1823 | −0.0230 | 0.0615 | 0.070* | |
H15B | 0.2538 | −0.0062 | −0.0085 | 0.070* | |
C16 | 0.1240 (4) | −0.0314 (6) | −0.0508 (3) | 0.0536 (15) | |
H16A | 0.1261 | −0.1364 | −0.0531 | 0.064* | |
H16B | 0.1389 | 0.0056 | −0.1042 | 0.064* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cr1 | 0.0444 (4) | 0.0431 (4) | 0.0464 (4) | −0.0014 (4) | 0.0013 (4) | 0.0013 (5) |
Cl1 | 0.0506 (8) | 0.0607 (8) | 0.0663 (9) | 0.0066 (7) | 0.0079 (8) | 0.0009 (8) |
K1 | 0.0486 (6) | 0.0409 (6) | 0.0477 (6) | 0.0084 (5) | 0.0050 (6) | 0.0034 (6) |
O1 | 0.0478 (19) | 0.0305 (18) | 0.0433 (18) | −0.0024 (16) | 0.0063 (16) | −0.0047 (18) |
O2 | 0.052 (2) | 0.0434 (19) | 0.046 (2) | 0.0039 (16) | 0.0017 (19) | 0.0102 (18) |
O3 | 0.045 (2) | 0.066 (2) | 0.057 (2) | −0.0055 (19) | 0.0061 (18) | −0.003 (2) |
O4 | 0.053 (2) | 0.063 (3) | 0.062 (3) | 0.010 (2) | 0.005 (2) | −0.016 (2) |
O5 | 0.045 (2) | 0.053 (3) | 0.076 (3) | 0.0145 (18) | −0.006 (2) | 0.002 (2) |
O6 | 0.0459 (19) | 0.0311 (18) | 0.059 (2) | 0.0020 (16) | 0.0007 (19) | 0.0115 (17) |
O7 | 0.048 (2) | 0.113 (4) | 0.112 (4) | 0.017 (3) | −0.014 (3) | −0.048 (3) |
O8 | 0.116 (4) | 0.096 (4) | 0.075 (3) | 0.020 (3) | 0.034 (3) | 0.033 (3) |
O9 | 0.087 (3) | 0.055 (2) | 0.084 (4) | −0.004 (2) | 0.006 (3) | −0.016 (3) |
C1 | 0.037 (3) | 0.047 (3) | 0.043 (3) | −0.008 (2) | 0.001 (2) | 0.007 (3) |
C2 | 0.039 (3) | 0.043 (3) | 0.033 (3) | −0.004 (2) | 0.000 (2) | −0.002 (2) |
C3 | 0.064 (4) | 0.029 (3) | 0.075 (4) | 0.001 (2) | 0.018 (3) | −0.006 (3) |
C4 | 0.060 (3) | 0.035 (3) | 0.074 (5) | 0.019 (3) | 0.013 (3) | 0.014 (3) |
C5 | 0.076 (4) | 0.049 (4) | 0.053 (4) | 0.000 (3) | 0.005 (3) | 0.018 (3) |
C6 | 0.082 (5) | 0.062 (4) | 0.053 (3) | −0.021 (3) | 0.010 (4) | 0.010 (3) |
C7 | 0.055 (4) | 0.093 (5) | 0.058 (4) | −0.006 (3) | 0.015 (3) | 0.001 (4) |
C8 | 0.054 (3) | 0.103 (5) | 0.068 (5) | 0.012 (4) | 0.016 (4) | −0.027 (4) |
C9 | 0.059 (4) | 0.070 (5) | 0.081 (5) | 0.023 (3) | −0.001 (4) | −0.022 (4) |
C10 | 0.056 (4) | 0.054 (4) | 0.110 (6) | 0.023 (3) | −0.013 (4) | −0.008 (4) |
C11 | 0.064 (4) | 0.043 (4) | 0.088 (5) | 0.018 (3) | −0.006 (4) | 0.011 (4) |
C12 | 0.076 (4) | 0.035 (3) | 0.086 (5) | −0.001 (3) | −0.002 (4) | 0.013 (3) |
C13 | 0.057 (3) | 0.049 (3) | 0.056 (3) | −0.012 (3) | −0.006 (3) | −0.006 (3) |
C14 | 0.044 (3) | 0.080 (5) | 0.067 (4) | −0.006 (3) | −0.009 (3) | −0.010 (3) |
C15 | 0.044 (3) | 0.063 (4) | 0.067 (4) | 0.006 (3) | 0.004 (3) | −0.005 (3) |
C16 | 0.056 (4) | 0.059 (4) | 0.045 (3) | 0.001 (3) | 0.010 (3) | −0.004 (3) |
Cr1—O8 | 1.584 (5) | C4—H4B | 0.9700 |
Cr1—O7 | 1.592 (5) | C5—C6 | 1.466 (9) |
Cr1—O9 | 1.595 (4) | C5—H5A | 0.9700 |
Cr1—Cl1 | 2.2002 (18) | C5—H5B | 0.9700 |
Cr1—K1 | 3.7972 (17) | C6—H6A | 0.9700 |
K1—O1 | 2.886 (3) | C6—H6B | 0.9700 |
K1—O2 | 2.798 (4) | C7—C8 | 1.478 (10) |
K1—O3 | 2.823 (4) | C7—H7B | 0.9700 |
K1—O4 | 2.876 (4) | C7—H7C | 0.9700 |
K1—O5 | 2.778 (4) | C8—H8B | 0.9700 |
K1—O6 | 2.789 (4) | C8—H8C | 0.9700 |
K1—O9 | 2.797 (5) | C9—C10 | 1.456 (10) |
O1—C3 | 1.428 (6) | C9—H9A | 0.9700 |
O1—C2 | 1.436 (6) | C9—H9B | 0.9700 |
O2—C5 | 1.413 (7) | C10—H10A | 0.9700 |
O2—C4 | 1.421 (6) | C10—H10B | 0.9700 |
O3—C7 | 1.403 (7) | C11—C12 | 1.481 (9) |
O3—C6 | 1.429 (7) | C11—H11A | 0.9700 |
O4—C9 | 1.419 (7) | C11—H11B | 0.9700 |
O4—C8 | 1.424 (9) | C12—H12A | 0.9700 |
O5—C11 | 1.405 (8) | C12—H12B | 0.9700 |
O5—C10 | 1.438 (7) | C13—C14 | 1.529 (8) |
O6—C12 | 1.415 (6) | C13—H13A | 0.9700 |
O6—C1 | 1.423 (6) | C13—H13B | 0.9700 |
C1—C2 | 1.496 (7) | C14—C15 | 1.501 (9) |
C1—C13 | 1.527 (8) | C14—H14A | 0.9700 |
C1—H1A | 0.9800 | C14—H14B | 0.9700 |
C2—C16 | 1.539 (7) | C15—C16 | 1.507 (8) |
C2—H2A | 0.9800 | C15—H15A | 0.9700 |
C3—C4 | 1.470 (9) | C15—H15B | 0.9700 |
C3—H3A | 0.9700 | C16—H16A | 0.9700 |
C3—H3B | 0.9700 | C16—H16B | 0.9700 |
C4—H4A | 0.9700 | ||
O8—Cr1—O7 | 111.6 (3) | C3—C4—H4A | 109.8 |
O8—Cr1—O9 | 110.4 (3) | O2—C4—H4B | 109.8 |
O7—Cr1—O9 | 110.7 (3) | C3—C4—H4B | 109.8 |
O8—Cr1—Cl1 | 107.98 (18) | H4A—C4—H4B | 108.2 |
O7—Cr1—Cl1 | 106.85 (19) | O2—C5—C6 | 109.7 (5) |
O9—Cr1—Cl1 | 109.17 (19) | O2—C5—H5A | 109.7 |
O8—Cr1—K1 | 73.3 (2) | C6—C5—H5A | 109.7 |
O7—Cr1—K1 | 143.30 (18) | O2—C5—H5B | 109.7 |
O9—Cr1—K1 | 41.0 (2) | C6—C5—H5B | 109.7 |
Cl1—Cr1—K1 | 105.62 (5) | H5A—C5—H5B | 108.2 |
O5—K1—O6 | 60.48 (12) | O3—C6—C5 | 108.5 (5) |
O5—K1—O9 | 105.74 (13) | O3—C6—H6A | 110.0 |
O6—K1—O9 | 116.38 (12) | C5—C6—H6A | 110.0 |
O5—K1—O2 | 154.91 (12) | O3—C6—H6B | 110.0 |
O6—K1—O2 | 112.99 (11) | C5—C6—H6B | 110.0 |
O9—K1—O2 | 98.74 (12) | H6A—C6—H6B | 108.4 |
O5—K1—O3 | 118.51 (13) | O3—C7—C8 | 109.2 (5) |
O6—K1—O3 | 161.24 (12) | O3—C7—H7B | 109.8 |
O9—K1—O3 | 82.29 (14) | C8—C7—H7B | 109.8 |
O2—K1—O3 | 59.02 (11) | O3—C7—H7C | 109.8 |
O5—K1—O4 | 59.79 (13) | C8—C7—H7C | 109.8 |
O6—K1—O4 | 117.46 (12) | H7B—C7—H7C | 108.3 |
O9—K1—O4 | 95.91 (14) | O4—C8—C7 | 108.9 (6) |
O2—K1—O4 | 112.77 (12) | O4—C8—H8B | 109.9 |
O3—K1—O4 | 58.75 (12) | C7—C8—H8B | 109.9 |
O5—K1—O1 | 117.83 (12) | O4—C8—H8C | 109.9 |
O6—K1—O1 | 57.40 (10) | C7—C8—H8C | 109.9 |
O9—K1—O1 | 102.81 (12) | H8B—C8—H8C | 108.3 |
O2—K1—O1 | 60.34 (10) | O4—C9—C10 | 108.4 (6) |
O3—K1—O1 | 119.21 (11) | O4—C9—H9A | 110.0 |
O4—K1—O1 | 160.77 (12) | C10—C9—H9A | 110.0 |
O5—K1—Cr1 | 84.37 (9) | O4—C9—H9B | 110.0 |
O6—K1—Cr1 | 101.45 (8) | C10—C9—H9B | 110.0 |
O9—K1—Cr1 | 21.98 (9) | H9A—C9—H9B | 108.4 |
O2—K1—Cr1 | 120.45 (9) | O5—C10—C9 | 110.5 (5) |
O3—K1—Cr1 | 96.98 (9) | O5—C10—H10A | 109.6 |
O4—K1—Cr1 | 89.68 (9) | C9—C10—H10A | 109.6 |
O1—K1—Cr1 | 109.36 (8) | O5—C10—H10B | 109.6 |
C3—O1—C2 | 113.1 (4) | C9—C10—H10B | 109.6 |
C3—O1—K1 | 111.2 (3) | H10A—C10—H10B | 108.1 |
C2—O1—K1 | 119.7 (3) | O5—C11—C12 | 109.4 (5) |
C5—O2—C4 | 112.7 (4) | O5—C11—H11A | 109.8 |
C5—O2—K1 | 112.5 (3) | C12—C11—H11A | 109.8 |
C4—O2—K1 | 113.7 (3) | O5—C11—H11B | 109.8 |
C7—O3—C6 | 113.2 (5) | C12—C11—H11B | 109.8 |
C7—O3—K1 | 119.0 (4) | H11A—C11—H11B | 108.2 |
C6—O3—K1 | 118.0 (3) | O6—C12—C11 | 110.0 (5) |
C9—O4—C8 | 113.1 (5) | O6—C12—H12A | 109.7 |
C9—O4—K1 | 108.1 (3) | C11—C12—H12A | 109.7 |
C8—O4—K1 | 109.7 (3) | O6—C12—H12B | 109.7 |
C11—O5—C10 | 114.7 (5) | C11—C12—H12B | 109.7 |
C11—O5—K1 | 115.0 (3) | H12A—C12—H12B | 108.2 |
C10—O5—K1 | 117.3 (4) | C1—C13—C14 | 110.3 (5) |
C12—O6—C1 | 114.5 (4) | C1—C13—H13A | 109.6 |
C12—O6—K1 | 114.7 (4) | C14—C13—H13A | 109.6 |
C1—O6—K1 | 115.3 (3) | C1—C13—H13B | 109.6 |
Cr1—O9—K1 | 117.0 (3) | C14—C13—H13B | 109.6 |
O6—C1—C2 | 108.4 (4) | H13A—C13—H13B | 108.1 |
O6—C1—C13 | 112.2 (4) | C15—C14—C13 | 110.9 (5) |
C2—C1—C13 | 112.0 (4) | C15—C14—H14A | 109.5 |
O6—C1—H1A | 108.0 | C13—C14—H14A | 109.5 |
C2—C1—H1A | 108.0 | C15—C14—H14B | 109.5 |
C13—C1—H1A | 108.0 | C13—C14—H14B | 109.5 |
O1—C2—C1 | 107.6 (4) | H14A—C14—H14B | 108.0 |
O1—C2—C16 | 111.5 (4) | C14—C15—C16 | 111.6 (5) |
C1—C2—C16 | 110.0 (4) | C14—C15—H15A | 109.3 |
O1—C2—H2A | 109.2 | C16—C15—H15A | 109.3 |
C1—C2—H2A | 109.2 | C14—C15—H15B | 109.3 |
C16—C2—H2A | 109.2 | C16—C15—H15B | 109.3 |
O1—C3—C4 | 108.7 (5) | H15A—C15—H15B | 108.0 |
O1—C3—H3A | 110.0 | C15—C16—C2 | 111.4 (5) |
C4—C3—H3A | 110.0 | C15—C16—H16A | 109.3 |
O1—C3—H3B | 110.0 | C2—C16—H16A | 109.3 |
C4—C3—H3B | 110.0 | C15—C16—H16B | 109.3 |
H3A—C3—H3B | 108.3 | C2—C16—H16B | 109.3 |
O2—C4—C3 | 109.5 (5) | H16A—C16—H16B | 108.0 |
O2—C4—H4A | 109.8 | ||
O1—C3—C4—O2 | 70.3 (6) | O5—K1—O4—C8 | −153.5 (4) |
O2—C5—C6—O3 | −62.4 (6) | O6—K1—O4—C8 | −172.6 (4) |
O3—C7—C8—O4 | 64.8 (7) | O9—K1—O4—C8 | −48.7 (4) |
O4—C9—C10—O5 | −66.2 (7) | O2—K1—O4—C8 | 53.3 (4) |
O5—C11—C12—O6 | 63.4 (7) | O3—K1—O4—C8 | 28.5 (4) |
O6—C1—C2—O1 | −58.7 (5) | O1—K1—O4—C8 | 118.1 (5) |
O8—Cr1—K1—O5 | −39.5 (2) | Cr1—K1—O4—C8 | −69.9 (4) |
O7—Cr1—K1—O5 | −143.4 (4) | O6—K1—O5—C11 | 18.2 (4) |
O9—Cr1—K1—O5 | 166.5 (3) | O9—K1—O5—C11 | 130.0 (4) |
Cl1—Cr1—K1—O5 | 65.04 (11) | O2—K1—O5—C11 | −63.1 (5) |
O8—Cr1—K1—O6 | 18.8 (2) | O3—K1—O5—C11 | −140.3 (4) |
O7—Cr1—K1—O6 | −85.1 (4) | O4—K1—O5—C11 | −142.3 (4) |
O9—Cr1—K1—O6 | −135.2 (3) | O1—K1—O5—C11 | 15.8 (4) |
Cl1—Cr1—K1—O6 | 123.37 (9) | Cr1—K1—O5—C11 | 124.7 (4) |
O8—Cr1—K1—O9 | 154.1 (3) | O6—K1—O5—C10 | 157.6 (4) |
O7—Cr1—K1—O9 | 50.1 (5) | O9—K1—O5—C10 | −90.6 (4) |
Cl1—Cr1—K1—O9 | −101.4 (3) | O2—K1—O5—C10 | 76.3 (5) |
O8—Cr1—K1—O2 | 144.4 (2) | O3—K1—O5—C10 | −0.9 (5) |
O7—Cr1—K1—O2 | 40.4 (4) | O4—K1—O5—C10 | −2.9 (4) |
O9—Cr1—K1—O2 | −9.7 (3) | O1—K1—O5—C10 | 155.2 (4) |
Cl1—Cr1—K1—O2 | −111.09 (11) | Cr1—K1—O5—C10 | −95.8 (4) |
O8—Cr1—K1—O3 | −157.6 (2) | O5—K1—O6—C12 | 15.3 (3) |
O7—Cr1—K1—O3 | 98.5 (4) | O9—K1—O6—C12 | −78.6 (4) |
O9—Cr1—K1—O3 | 48.4 (3) | O2—K1—O6—C12 | 168.2 (4) |
Cl1—Cr1—K1—O3 | −53.06 (10) | O3—K1—O6—C12 | 107.5 (5) |
O8—Cr1—K1—O4 | −99.1 (2) | O4—K1—O6—C12 | 34.2 (4) |
O7—Cr1—K1—O4 | 156.9 (4) | O1—K1—O6—C12 | −167.2 (4) |
O9—Cr1—K1—O4 | 106.8 (3) | Cr1—K1—O6—C12 | −61.4 (4) |
Cl1—Cr1—K1—O4 | 5.38 (11) | O5—K1—O6—C1 | 151.5 (3) |
O8—Cr1—K1—O1 | 78.1 (2) | O9—K1—O6—C1 | 57.7 (3) |
O7—Cr1—K1—O1 | −25.9 (4) | O2—K1—O6—C1 | −55.6 (3) |
O9—Cr1—K1—O1 | −76.0 (3) | O3—K1—O6—C1 | −116.3 (4) |
Cl1—Cr1—K1—O1 | −177.40 (9) | O4—K1—O6—C1 | 170.5 (3) |
O5—K1—O1—C3 | −134.3 (4) | O1—K1—O6—C1 | −31.0 (3) |
O6—K1—O1—C3 | −136.8 (4) | Cr1—K1—O6—C1 | 74.8 (3) |
O9—K1—O1—C3 | 109.9 (4) | O8—Cr1—O9—K1 | −26.6 (3) |
O2—K1—O1—C3 | 17.1 (4) | O7—Cr1—O9—K1 | −150.7 (3) |
O3—K1—O1—C3 | 21.7 (4) | Cl1—Cr1—O9—K1 | 92.0 (2) |
O4—K1—O1—C3 | −56.7 (6) | O5—K1—O9—Cr1 | −14.0 (3) |
Cr1—K1—O1—C3 | 131.8 (4) | O6—K1—O9—Cr1 | 50.4 (3) |
O5—K1—O1—C2 | 0.6 (3) | O2—K1—O9—Cr1 | 171.6 (2) |
O6—K1—O1—C2 | −1.8 (3) | O3—K1—O9—Cr1 | −131.5 (3) |
O9—K1—O1—C2 | −115.1 (3) | O4—K1—O9—Cr1 | −74.2 (3) |
O2—K1—O1—C2 | 152.0 (3) | O1—K1—O9—Cr1 | 110.2 (3) |
O3—K1—O1—C2 | 156.6 (3) | C12—O6—C1—C2 | −162.0 (5) |
O4—K1—O1—C2 | 78.3 (4) | K1—O6—C1—C2 | 61.6 (4) |
Cr1—K1—O1—C2 | −93.3 (3) | C12—O6—C1—C13 | 73.8 (6) |
O5—K1—O2—C5 | −119.3 (4) | K1—O6—C1—C13 | −62.6 (5) |
O6—K1—O2—C5 | 171.6 (3) | C3—O1—C2—C1 | 165.1 (4) |
O9—K1—O2—C5 | 48.0 (4) | K1—O1—C2—C1 | 31.0 (5) |
O3—K1—O2—C5 | −27.5 (3) | C3—O1—C2—C16 | −74.2 (5) |
O4—K1—O2—C5 | −52.3 (4) | K1—O1—C2—C16 | 151.7 (3) |
O1—K1—O2—C5 | 147.8 (4) | C13—C1—C2—O1 | 65.6 (5) |
Cr1—K1—O2—C5 | 51.6 (4) | O6—C1—C2—C16 | 179.7 (4) |
O5—K1—O2—C4 | 111.1 (4) | C13—C1—C2—C16 | −56.0 (6) |
O6—K1—O2—C4 | 42.0 (4) | C2—O1—C3—C4 | 171.9 (4) |
O9—K1—O2—C4 | −81.7 (4) | K1—O1—C3—C4 | −50.1 (5) |
O3—K1—O2—C4 | −157.1 (4) | C5—O2—C4—C3 | 178.1 (5) |
O4—K1—O2—C4 | 178.1 (4) | K1—O2—C4—C3 | −52.4 (5) |
O1—K1—O2—C4 | 18.2 (3) | C4—O2—C5—C6 | −170.7 (5) |
Cr1—K1—O2—C4 | −78.0 (4) | K1—O2—C5—C6 | 59.2 (5) |
O5—K1—O3—C7 | 2.6 (5) | C7—O3—C6—C5 | −179.2 (5) |
O6—K1—O3—C7 | −79.1 (6) | K1—O3—C6—C5 | 35.2 (6) |
O9—K1—O3—C7 | 106.3 (4) | C6—O3—C7—C8 | 178.9 (6) |
O2—K1—O3—C7 | −148.6 (5) | K1—O3—C7—C8 | −35.9 (7) |
O4—K1—O3—C7 | 4.6 (4) | C9—O4—C8—C7 | 179.0 (5) |
O1—K1—O3—C7 | −153.3 (4) | K1—O4—C8—C7 | −60.1 (5) |
Cr1—K1—O3—C7 | 89.9 (4) | C8—O4—C9—C10 | −176.9 (5) |
O5—K1—O3—C6 | 146.1 (4) | K1—O4—C9—C10 | 61.4 (5) |
O6—K1—O3—C6 | 64.4 (6) | C11—O5—C10—C9 | 174.6 (6) |
O9—K1—O3—C6 | −110.2 (4) | K1—O5—C10—C9 | 35.1 (7) |
O2—K1—O3—C6 | −5.1 (4) | C10—O5—C11—C12 | 170.8 (5) |
O4—K1—O3—C6 | 148.1 (4) | K1—O5—C11—C12 | −48.7 (6) |
O1—K1—O3—C6 | −9.7 (4) | C1—O6—C12—C11 | 177.4 (5) |
Cr1—K1—O3—C6 | −126.6 (4) | K1—O6—C12—C11 | −45.9 (6) |
O5—K1—O4—C9 | −29.8 (4) | O6—C1—C13—C14 | 178.7 (5) |
O6—K1—O4—C9 | −48.8 (4) | C2—C1—C13—C14 | 56.5 (6) |
O9—K1—O4—C9 | 75.0 (4) | C1—C13—C14—C15 | −55.5 (7) |
O2—K1—O4—C9 | 177.1 (4) | C13—C14—C15—C16 | 56.0 (7) |
O3—K1—O4—C9 | 152.3 (4) | C14—C15—C16—C2 | −56.0 (7) |
O1—K1—O4—C9 | −118.1 (4) | O1—C2—C16—C15 | −63.7 (6) |
Cr1—K1—O4—C9 | 53.9 (4) | C1—C2—C16—C15 | 55.5 (6) |