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In the crystal structure of the title compound, (cis-hexadeca­hydro-1,4,7,10,13,16-benzohexaoxa­cyclo­octadecin)­potassium chloro­chromate(VI), [K(C16H30O6)][CrClO3], the cation forms almost equivalent bonds with the ether O atoms and with the O atom of the anion. The complex is chiral, but the crystal structure is racemic.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804015132/cv6334sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804015132/cv6334Isup2.hkl
Contains datablock I

CCDC reference: 245160

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](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

Computing details top

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.

(cis-hexadecahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin)potassium chlorochromate top
Crystal data top
[K(C16H30O6)][CrClO3]F(000) = 1032
Mr = 492.95Dx = 1.463 Mg m3
Orthorhombic, Pca21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2acCell parameters from 24 reflections
a = 14.693 (4) Åθ = 12–18°
b = 9.221 (3) ŵ = 0.86 mm1
c = 16.515 (5) ÅT = 293 K
V = 2237.5 (12) Å3Prismatic, orange
Z = 40.3 × 0.2 × 0.15 mm
Data collection top
Siemens P3/PC
diffractometer
Rint = 0.000
Radiation source: fine-focus sealed tubeθmax = 25.1°, θmin = 2.2°
Graphite monochromatorh = 017
θ–2θ scansk = 010
2040 measured reflectionsl = 190
2040 independent reflections2 standard reflections every 98 reflections
1405 reflections with I > 2σ(I) intensity decay: 3%
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.035H-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 reflectionsΔρmax = 0.21 e Å3
253 parametersΔρmin = 0.26 e Å3
1 restraintAbsolute structure: Flack (1983), 0 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.00 (4)
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.

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cr10.00292 (5)0.34130 (9)0.30046 (7)0.0446 (2)
Cl10.10846 (10)0.44295 (17)0.37602 (10)0.0592 (4)
K10.13013 (8)0.10858 (12)0.14825 (8)0.0457 (3)
O10.0009 (2)0.0443 (3)0.0481 (2)0.0405 (8)
O20.1202 (2)0.1941 (4)0.1562 (2)0.0474 (9)
O30.2352 (3)0.0486 (4)0.2613 (2)0.0561 (10)
O40.2998 (2)0.2205 (4)0.2086 (3)0.0593 (10)
O50.1969 (2)0.3718 (4)0.0919 (3)0.0580 (11)
O60.0659 (2)0.2200 (4)0.0020 (2)0.0452 (9)
O70.0905 (3)0.3557 (6)0.3485 (3)0.0908 (17)
O80.0003 (4)0.4250 (6)0.2167 (3)0.0959 (18)
O90.0282 (3)0.1750 (4)0.2864 (3)0.0754 (13)
C10.0244 (3)0.1789 (6)0.0189 (3)0.0422 (13)
H1A0.03880.22180.07160.051*
C20.0273 (3)0.0175 (6)0.0277 (3)0.0383 (12)
H2A0.01520.01230.07020.046*
C30.0232 (4)0.1947 (5)0.0423 (4)0.0562 (16)
H3A0.02610.24700.01620.067*
H3B0.07780.20710.01000.067*
C40.0380 (4)0.2519 (6)0.1243 (4)0.0562 (16)
H4A0.04170.35690.12250.067*
H4B0.01260.22530.15890.067*
C50.1405 (4)0.2480 (6)0.2342 (4)0.0595 (16)
H5A0.09680.21080.27300.071*
H5B0.13640.35300.23420.071*
C60.2325 (5)0.2034 (7)0.2577 (4)0.0658 (18)
H6A0.27640.23830.21830.079*
H6B0.24790.24400.31010.079*
C70.3205 (4)0.0058 (8)0.2844 (5)0.0689 (18)
H7B0.33720.03250.33700.083*
H7C0.36630.02400.24550.083*
C80.3161 (4)0.1658 (8)0.2879 (5)0.075 (2)
H8B0.37300.20410.30870.090*
H8C0.26750.19570.32400.090*
C90.2959 (4)0.3741 (7)0.2056 (5)0.0697 (19)
H9A0.24530.40890.23800.084*
H9B0.35170.41510.22720.084*
C100.2841 (4)0.4180 (7)0.1216 (5)0.073 (2)
H10A0.33190.37550.08880.088*
H10B0.28880.52270.11750.088*
C110.1823 (4)0.3979 (7)0.0090 (5)0.0650 (18)
H11A0.19690.49800.00360.078*
H11B0.22170.33580.02300.078*
C120.0859 (4)0.3683 (6)0.0111 (5)0.0656 (18)
H12A0.07450.39290.06730.079*
H12B0.04660.42790.02240.079*
C130.0942 (4)0.2337 (6)0.0423 (4)0.0540 (14)
H13A0.09230.33880.04440.065*
H13B0.07940.19690.09570.065*
C140.1898 (4)0.1839 (7)0.0185 (4)0.0637 (18)
H14A0.20710.22940.03210.076*
H14B0.23290.21410.05970.076*
C150.1935 (4)0.0221 (7)0.0093 (4)0.0581 (16)
H15A0.18230.02300.06150.070*
H15B0.25380.00620.00850.070*
C160.1240 (4)0.0314 (6)0.0508 (3)0.0536 (15)
H16A0.12610.13640.05310.064*
H16B0.13890.00560.10420.064*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cr10.0444 (4)0.0431 (4)0.0464 (4)0.0014 (4)0.0013 (4)0.0013 (5)
Cl10.0506 (8)0.0607 (8)0.0663 (9)0.0066 (7)0.0079 (8)0.0009 (8)
K10.0486 (6)0.0409 (6)0.0477 (6)0.0084 (5)0.0050 (6)0.0034 (6)
O10.0478 (19)0.0305 (18)0.0433 (18)0.0024 (16)0.0063 (16)0.0047 (18)
O20.052 (2)0.0434 (19)0.046 (2)0.0039 (16)0.0017 (19)0.0102 (18)
O30.045 (2)0.066 (2)0.057 (2)0.0055 (19)0.0061 (18)0.003 (2)
O40.053 (2)0.063 (3)0.062 (3)0.010 (2)0.005 (2)0.016 (2)
O50.045 (2)0.053 (3)0.076 (3)0.0145 (18)0.006 (2)0.002 (2)
O60.0459 (19)0.0311 (18)0.059 (2)0.0020 (16)0.0007 (19)0.0115 (17)
O70.048 (2)0.113 (4)0.112 (4)0.017 (3)0.014 (3)0.048 (3)
O80.116 (4)0.096 (4)0.075 (3)0.020 (3)0.034 (3)0.033 (3)
O90.087 (3)0.055 (2)0.084 (4)0.004 (2)0.006 (3)0.016 (3)
C10.037 (3)0.047 (3)0.043 (3)0.008 (2)0.001 (2)0.007 (3)
C20.039 (3)0.043 (3)0.033 (3)0.004 (2)0.000 (2)0.002 (2)
C30.064 (4)0.029 (3)0.075 (4)0.001 (2)0.018 (3)0.006 (3)
C40.060 (3)0.035 (3)0.074 (5)0.019 (3)0.013 (3)0.014 (3)
C50.076 (4)0.049 (4)0.053 (4)0.000 (3)0.005 (3)0.018 (3)
C60.082 (5)0.062 (4)0.053 (3)0.021 (3)0.010 (4)0.010 (3)
C70.055 (4)0.093 (5)0.058 (4)0.006 (3)0.015 (3)0.001 (4)
C80.054 (3)0.103 (5)0.068 (5)0.012 (4)0.016 (4)0.027 (4)
C90.059 (4)0.070 (5)0.081 (5)0.023 (3)0.001 (4)0.022 (4)
C100.056 (4)0.054 (4)0.110 (6)0.023 (3)0.013 (4)0.008 (4)
C110.064 (4)0.043 (4)0.088 (5)0.018 (3)0.006 (4)0.011 (4)
C120.076 (4)0.035 (3)0.086 (5)0.001 (3)0.002 (4)0.013 (3)
C130.057 (3)0.049 (3)0.056 (3)0.012 (3)0.006 (3)0.006 (3)
C140.044 (3)0.080 (5)0.067 (4)0.006 (3)0.009 (3)0.010 (3)
C150.044 (3)0.063 (4)0.067 (4)0.006 (3)0.004 (3)0.005 (3)
C160.056 (4)0.059 (4)0.045 (3)0.001 (3)0.010 (3)0.004 (3)
Geometric parameters (Å, º) top
Cr1—O81.584 (5)C4—H4B0.9700
Cr1—O71.592 (5)C5—C61.466 (9)
Cr1—O91.595 (4)C5—H5A0.9700
Cr1—Cl12.2002 (18)C5—H5B0.9700
Cr1—K13.7972 (17)C6—H6A0.9700
K1—O12.886 (3)C6—H6B0.9700
K1—O22.798 (4)C7—C81.478 (10)
K1—O32.823 (4)C7—H7B0.9700
K1—O42.876 (4)C7—H7C0.9700
K1—O52.778 (4)C8—H8B0.9700
K1—O62.789 (4)C8—H8C0.9700
K1—O92.797 (5)C9—C101.456 (10)
O1—C31.428 (6)C9—H9A0.9700
O1—C21.436 (6)C9—H9B0.9700
O2—C51.413 (7)C10—H10A0.9700
O2—C41.421 (6)C10—H10B0.9700
O3—C71.403 (7)C11—C121.481 (9)
O3—C61.429 (7)C11—H11A0.9700
O4—C91.419 (7)C11—H11B0.9700
O4—C81.424 (9)C12—H12A0.9700
O5—C111.405 (8)C12—H12B0.9700
O5—C101.438 (7)C13—C141.529 (8)
O6—C121.415 (6)C13—H13A0.9700
O6—C11.423 (6)C13—H13B0.9700
C1—C21.496 (7)C14—C151.501 (9)
C1—C131.527 (8)C14—H14A0.9700
C1—H1A0.9800C14—H14B0.9700
C2—C161.539 (7)C15—C161.507 (8)
C2—H2A0.9800C15—H15A0.9700
C3—C41.470 (9)C15—H15B0.9700
C3—H3A0.9700C16—H16A0.9700
C3—H3B0.9700C16—H16B0.9700
C4—H4A0.9700
O8—Cr1—O7111.6 (3)C3—C4—H4A109.8
O8—Cr1—O9110.4 (3)O2—C4—H4B109.8
O7—Cr1—O9110.7 (3)C3—C4—H4B109.8
O8—Cr1—Cl1107.98 (18)H4A—C4—H4B108.2
O7—Cr1—Cl1106.85 (19)O2—C5—C6109.7 (5)
O9—Cr1—Cl1109.17 (19)O2—C5—H5A109.7
O8—Cr1—K173.3 (2)C6—C5—H5A109.7
O7—Cr1—K1143.30 (18)O2—C5—H5B109.7
O9—Cr1—K141.0 (2)C6—C5—H5B109.7
Cl1—Cr1—K1105.62 (5)H5A—C5—H5B108.2
O5—K1—O660.48 (12)O3—C6—C5108.5 (5)
O5—K1—O9105.74 (13)O3—C6—H6A110.0
O6—K1—O9116.38 (12)C5—C6—H6A110.0
O5—K1—O2154.91 (12)O3—C6—H6B110.0
O6—K1—O2112.99 (11)C5—C6—H6B110.0
O9—K1—O298.74 (12)H6A—C6—H6B108.4
O5—K1—O3118.51 (13)O3—C7—C8109.2 (5)
O6—K1—O3161.24 (12)O3—C7—H7B109.8
O9—K1—O382.29 (14)C8—C7—H7B109.8
O2—K1—O359.02 (11)O3—C7—H7C109.8
O5—K1—O459.79 (13)C8—C7—H7C109.8
O6—K1—O4117.46 (12)H7B—C7—H7C108.3
O9—K1—O495.91 (14)O4—C8—C7108.9 (6)
O2—K1—O4112.77 (12)O4—C8—H8B109.9
O3—K1—O458.75 (12)C7—C8—H8B109.9
O5—K1—O1117.83 (12)O4—C8—H8C109.9
O6—K1—O157.40 (10)C7—C8—H8C109.9
O9—K1—O1102.81 (12)H8B—C8—H8C108.3
O2—K1—O160.34 (10)O4—C9—C10108.4 (6)
O3—K1—O1119.21 (11)O4—C9—H9A110.0
O4—K1—O1160.77 (12)C10—C9—H9A110.0
O5—K1—Cr184.37 (9)O4—C9—H9B110.0
O6—K1—Cr1101.45 (8)C10—C9—H9B110.0
O9—K1—Cr121.98 (9)H9A—C9—H9B108.4
O2—K1—Cr1120.45 (9)O5—C10—C9110.5 (5)
O3—K1—Cr196.98 (9)O5—C10—H10A109.6
O4—K1—Cr189.68 (9)C9—C10—H10A109.6
O1—K1—Cr1109.36 (8)O5—C10—H10B109.6
C3—O1—C2113.1 (4)C9—C10—H10B109.6
C3—O1—K1111.2 (3)H10A—C10—H10B108.1
C2—O1—K1119.7 (3)O5—C11—C12109.4 (5)
C5—O2—C4112.7 (4)O5—C11—H11A109.8
C5—O2—K1112.5 (3)C12—C11—H11A109.8
C4—O2—K1113.7 (3)O5—C11—H11B109.8
C7—O3—C6113.2 (5)C12—C11—H11B109.8
C7—O3—K1119.0 (4)H11A—C11—H11B108.2
C6—O3—K1118.0 (3)O6—C12—C11110.0 (5)
C9—O4—C8113.1 (5)O6—C12—H12A109.7
C9—O4—K1108.1 (3)C11—C12—H12A109.7
C8—O4—K1109.7 (3)O6—C12—H12B109.7
C11—O5—C10114.7 (5)C11—C12—H12B109.7
C11—O5—K1115.0 (3)H12A—C12—H12B108.2
C10—O5—K1117.3 (4)C1—C13—C14110.3 (5)
C12—O6—C1114.5 (4)C1—C13—H13A109.6
C12—O6—K1114.7 (4)C14—C13—H13A109.6
C1—O6—K1115.3 (3)C1—C13—H13B109.6
Cr1—O9—K1117.0 (3)C14—C13—H13B109.6
O6—C1—C2108.4 (4)H13A—C13—H13B108.1
O6—C1—C13112.2 (4)C15—C14—C13110.9 (5)
C2—C1—C13112.0 (4)C15—C14—H14A109.5
O6—C1—H1A108.0C13—C14—H14A109.5
C2—C1—H1A108.0C15—C14—H14B109.5
C13—C1—H1A108.0C13—C14—H14B109.5
O1—C2—C1107.6 (4)H14A—C14—H14B108.0
O1—C2—C16111.5 (4)C14—C15—C16111.6 (5)
C1—C2—C16110.0 (4)C14—C15—H15A109.3
O1—C2—H2A109.2C16—C15—H15A109.3
C1—C2—H2A109.2C14—C15—H15B109.3
C16—C2—H2A109.2C16—C15—H15B109.3
O1—C3—C4108.7 (5)H15A—C15—H15B108.0
O1—C3—H3A110.0C15—C16—C2111.4 (5)
C4—C3—H3A110.0C15—C16—H16A109.3
O1—C3—H3B110.0C2—C16—H16A109.3
C4—C3—H3B110.0C15—C16—H16B109.3
H3A—C3—H3B108.3C2—C16—H16B109.3
O2—C4—C3109.5 (5)H16A—C16—H16B108.0
O2—C4—H4A109.8
O1—C3—C4—O270.3 (6)O5—K1—O4—C8153.5 (4)
O2—C5—C6—O362.4 (6)O6—K1—O4—C8172.6 (4)
O3—C7—C8—O464.8 (7)O9—K1—O4—C848.7 (4)
O4—C9—C10—O566.2 (7)O2—K1—O4—C853.3 (4)
O5—C11—C12—O663.4 (7)O3—K1—O4—C828.5 (4)
O6—C1—C2—O158.7 (5)O1—K1—O4—C8118.1 (5)
O8—Cr1—K1—O539.5 (2)Cr1—K1—O4—C869.9 (4)
O7—Cr1—K1—O5143.4 (4)O6—K1—O5—C1118.2 (4)
O9—Cr1—K1—O5166.5 (3)O9—K1—O5—C11130.0 (4)
Cl1—Cr1—K1—O565.04 (11)O2—K1—O5—C1163.1 (5)
O8—Cr1—K1—O618.8 (2)O3—K1—O5—C11140.3 (4)
O7—Cr1—K1—O685.1 (4)O4—K1—O5—C11142.3 (4)
O9—Cr1—K1—O6135.2 (3)O1—K1—O5—C1115.8 (4)
Cl1—Cr1—K1—O6123.37 (9)Cr1—K1—O5—C11124.7 (4)
O8—Cr1—K1—O9154.1 (3)O6—K1—O5—C10157.6 (4)
O7—Cr1—K1—O950.1 (5)O9—K1—O5—C1090.6 (4)
Cl1—Cr1—K1—O9101.4 (3)O2—K1—O5—C1076.3 (5)
O8—Cr1—K1—O2144.4 (2)O3—K1—O5—C100.9 (5)
O7—Cr1—K1—O240.4 (4)O4—K1—O5—C102.9 (4)
O9—Cr1—K1—O29.7 (3)O1—K1—O5—C10155.2 (4)
Cl1—Cr1—K1—O2111.09 (11)Cr1—K1—O5—C1095.8 (4)
O8—Cr1—K1—O3157.6 (2)O5—K1—O6—C1215.3 (3)
O7—Cr1—K1—O398.5 (4)O9—K1—O6—C1278.6 (4)
O9—Cr1—K1—O348.4 (3)O2—K1—O6—C12168.2 (4)
Cl1—Cr1—K1—O353.06 (10)O3—K1—O6—C12107.5 (5)
O8—Cr1—K1—O499.1 (2)O4—K1—O6—C1234.2 (4)
O7—Cr1—K1—O4156.9 (4)O1—K1—O6—C12167.2 (4)
O9—Cr1—K1—O4106.8 (3)Cr1—K1—O6—C1261.4 (4)
Cl1—Cr1—K1—O45.38 (11)O5—K1—O6—C1151.5 (3)
O8—Cr1—K1—O178.1 (2)O9—K1—O6—C157.7 (3)
O7—Cr1—K1—O125.9 (4)O2—K1—O6—C155.6 (3)
O9—Cr1—K1—O176.0 (3)O3—K1—O6—C1116.3 (4)
Cl1—Cr1—K1—O1177.40 (9)O4—K1—O6—C1170.5 (3)
O5—K1—O1—C3134.3 (4)O1—K1—O6—C131.0 (3)
O6—K1—O1—C3136.8 (4)Cr1—K1—O6—C174.8 (3)
O9—K1—O1—C3109.9 (4)O8—Cr1—O9—K126.6 (3)
O2—K1—O1—C317.1 (4)O7—Cr1—O9—K1150.7 (3)
O3—K1—O1—C321.7 (4)Cl1—Cr1—O9—K192.0 (2)
O4—K1—O1—C356.7 (6)O5—K1—O9—Cr114.0 (3)
Cr1—K1—O1—C3131.8 (4)O6—K1—O9—Cr150.4 (3)
O5—K1—O1—C20.6 (3)O2—K1—O9—Cr1171.6 (2)
O6—K1—O1—C21.8 (3)O3—K1—O9—Cr1131.5 (3)
O9—K1—O1—C2115.1 (3)O4—K1—O9—Cr174.2 (3)
O2—K1—O1—C2152.0 (3)O1—K1—O9—Cr1110.2 (3)
O3—K1—O1—C2156.6 (3)C12—O6—C1—C2162.0 (5)
O4—K1—O1—C278.3 (4)K1—O6—C1—C261.6 (4)
Cr1—K1—O1—C293.3 (3)C12—O6—C1—C1373.8 (6)
O5—K1—O2—C5119.3 (4)K1—O6—C1—C1362.6 (5)
O6—K1—O2—C5171.6 (3)C3—O1—C2—C1165.1 (4)
O9—K1—O2—C548.0 (4)K1—O1—C2—C131.0 (5)
O3—K1—O2—C527.5 (3)C3—O1—C2—C1674.2 (5)
O4—K1—O2—C552.3 (4)K1—O1—C2—C16151.7 (3)
O1—K1—O2—C5147.8 (4)C13—C1—C2—O165.6 (5)
Cr1—K1—O2—C551.6 (4)O6—C1—C2—C16179.7 (4)
O5—K1—O2—C4111.1 (4)C13—C1—C2—C1656.0 (6)
O6—K1—O2—C442.0 (4)C2—O1—C3—C4171.9 (4)
O9—K1—O2—C481.7 (4)K1—O1—C3—C450.1 (5)
O3—K1—O2—C4157.1 (4)C5—O2—C4—C3178.1 (5)
O4—K1—O2—C4178.1 (4)K1—O2—C4—C352.4 (5)
O1—K1—O2—C418.2 (3)C4—O2—C5—C6170.7 (5)
Cr1—K1—O2—C478.0 (4)K1—O2—C5—C659.2 (5)
O5—K1—O3—C72.6 (5)C7—O3—C6—C5179.2 (5)
O6—K1—O3—C779.1 (6)K1—O3—C6—C535.2 (6)
O9—K1—O3—C7106.3 (4)C6—O3—C7—C8178.9 (6)
O2—K1—O3—C7148.6 (5)K1—O3—C7—C835.9 (7)
O4—K1—O3—C74.6 (4)C9—O4—C8—C7179.0 (5)
O1—K1—O3—C7153.3 (4)K1—O4—C8—C760.1 (5)
Cr1—K1—O3—C789.9 (4)C8—O4—C9—C10176.9 (5)
O5—K1—O3—C6146.1 (4)K1—O4—C9—C1061.4 (5)
O6—K1—O3—C664.4 (6)C11—O5—C10—C9174.6 (6)
O9—K1—O3—C6110.2 (4)K1—O5—C10—C935.1 (7)
O2—K1—O3—C65.1 (4)C10—O5—C11—C12170.8 (5)
O4—K1—O3—C6148.1 (4)K1—O5—C11—C1248.7 (6)
O1—K1—O3—C69.7 (4)C1—O6—C12—C11177.4 (5)
Cr1—K1—O3—C6126.6 (4)K1—O6—C12—C1145.9 (6)
O5—K1—O4—C929.8 (4)O6—C1—C13—C14178.7 (5)
O6—K1—O4—C948.8 (4)C2—C1—C13—C1456.5 (6)
O9—K1—O4—C975.0 (4)C1—C13—C14—C1555.5 (7)
O2—K1—O4—C9177.1 (4)C13—C14—C15—C1656.0 (7)
O3—K1—O4—C9152.3 (4)C14—C15—C16—C256.0 (7)
O1—K1—O4—C9118.1 (4)O1—C2—C16—C1563.7 (6)
Cr1—K1—O4—C953.9 (4)C1—C2—C16—C1555.5 (6)
 

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