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The crystal structure of the title compound, (1,4,7,10,13,16-hexaoxacyclooctadecane-κ
6O)potassium chlorochromate(VI), [K(C
12H
24O
6)][CrClO
3], contains a K
+ cation, complexed with one crown ether molecule, and a chlorochromate anion. The cation is located within the mean plane of the ether O atoms, approximately in the centre of the macrocyclic cavity, and bonded to them with K—O distances in the range 2.785 (5)–2.836 (5) Å. In the crystal structure, polymeric chains of the type K
+–CrO
–K
+ are formed.
Supporting information
CCDC reference: 263549
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.014 Å
- R factor = 0.082
- wR factor = 0.253
- Data-to-parameter ratio = 15.7
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT220_ALERT_2_A Large Non-Solvent O Ueq(max)/Ueq(min) ... 5.32 Ratio
PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for O8
PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for Cr1
Alert level C
RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25
Weighted R factor given 0.253
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 44 Perc.
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT199_ALERT_1_C Check the Reported cell_measurement_temperature 293
PLAT213_ALERT_2_C Atom O9 has ADP max/min Ratio ............. 3.40 prolat
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C1
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C4
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for K1
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O2
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O3
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 14
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C5 - C6 ... 1.43 Ang.
PLAT731_ALERT_1_C Bond Calc 1.597(9), Rep 1.597(4) ...... 2.25 su-Rat
CR1 -O7 1.555 1.555
Alert level G
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
From the CIF: _diffrn_reflns_theta_max 25.05
From the CIF: _reflns_number_total 3416
From the CIF: _diffrn_reflns_limit_ max hkl 16. 18. 20.
From the CIF: _diffrn_reflns_limit_ min hkl 0. 0. 0.
TEST1: Expected hkl limits for theta max
Calculated maximum hkl 18. 18. 20.
Calculated minimum hkl -18. -18. -20.
3 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
16 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
11 ALERT type 2 Indicator that the structure model may be wrong or deficient
4 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: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: Please provide missing information.
(1,4,7,10,13,16-hexaoxacyclooctadecane-
κ6O)potassium chlorochromate
top
Crystal data top
[K(C12H24O6)][CrClO3] | Dx = 1.463 Mg m−3 |
Mr = 438.86 | Melting point: 440 (decomposed) K |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
a = 15.113 (2) Å | Cell parameters from 24 reflections |
b = 15.692 (2) Å | θ = 12–14° |
c = 16.806 (2) Å | µ = 0.95 mm−1 |
V = 3985.4 (9) Å3 | T = 293 K |
Z = 8 | Plate, pale orange |
F(000) = 1824 | 0.2 × 0.2 × 0.1 mm |
Data collection top
Siemens P3/PC diffractometer | θmax = 25.1°, θmin = 2.2° |
θ/2θ scans | h = 0→16 |
3465 measured reflections | k = 0→18 |
3416 independent reflections | l = 0→20 |
1518 reflections with I > 2σ(I) | 2 standard reflections every 98 reflections |
Rint = 0.015 | intensity decay: 2% |
Refinement top
Refinement on F2 | 3 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.082 | w = 1/[σ2(Fo2) + (0.153P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.253 | (Δ/σ)max < 0.001 |
S = 0.91 | Δρmax = 0.73 e Å−3 |
3416 reflections | Δρmin = −0.38 e Å−3 |
217 parameters | |
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 | 0.86843 (8) | 0.20047 (8) | 0.33981 (8) | 0.0700 (5) | |
K1 | 0.61765 (11) | 0.19053 (9) | 0.24546 (9) | 0.0623 (5) | |
Cl1 | 0.8563 (2) | 0.10005 (15) | 0.42629 (16) | 0.1270 (12) | |
O1 | 0.6754 (4) | 0.1758 (4) | 0.0875 (3) | 0.0780 (16) | |
O2 | 0.6688 (3) | 0.3374 (3) | 0.1646 (3) | 0.0685 (14) | |
O3 | 0.5646 (3) | 0.3480 (3) | 0.3075 (3) | 0.0598 (12) | |
O4 | 0.5498 (3) | 0.1994 (3) | 0.4010 (3) | 0.0598 (12) | |
O5 | 0.5731 (3) | 0.0392 (3) | 0.3261 (3) | 0.0587 (12) | |
O6 | 0.6735 (3) | 0.0303 (3) | 0.1855 (3) | 0.0708 (14) | |
O7 | 0.9409 (6) | 0.2664 (5) | 0.3714 (7) | 0.240 (7) | |
O8 | 0.7773 (4) | 0.2509 (6) | 0.3334 (6) | 0.186 (4) | |
O9 | 0.8903 (11) | 0.1577 (7) | 0.2554 (5) | 0.313 (10) | |
C1 | 0.7191 (6) | 0.2496 (8) | 0.0594 (5) | 0.103 (3) | |
H1A | 0.7264 | 0.2466 | 0.0021 | 0.123* | |
H1B | 0.7772 | 0.2542 | 0.0835 | 0.123* | |
C2 | 0.6636 (6) | 0.3250 (6) | 0.0813 (6) | 0.094 (3) | |
H2A | 0.6849 | 0.3753 | 0.0538 | 0.113* | |
H2B | 0.6027 | 0.3152 | 0.0657 | 0.113* | |
C3 | 0.6190 (6) | 0.4094 (6) | 0.1892 (8) | 0.104 (3) | |
H3A | 0.5591 | 0.4047 | 0.1689 | 0.125* | |
H3B | 0.6452 | 0.4607 | 0.1672 | 0.125* | |
C4 | 0.6167 (6) | 0.4158 (5) | 0.2773 (7) | 0.098 (3) | |
H4A | 0.6763 | 0.4122 | 0.2985 | 0.118* | |
H4B | 0.5914 | 0.47 | 0.2931 | 0.118* | |
C5 | 0.5595 (6) | 0.3468 (5) | 0.3915 (5) | 0.083 (3) | |
H5A | 0.535 | 0.4002 | 0.4106 | 0.1* | |
H5B | 0.6182 | 0.3401 | 0.4139 | 0.1* | |
C6 | 0.5045 (6) | 0.2776 (5) | 0.4156 (5) | 0.084 (3) | |
H6A | 0.4494 | 0.2787 | 0.386 | 0.101* | |
H6B | 0.4907 | 0.2826 | 0.4718 | 0.101* | |
C7 | 0.5012 (5) | 0.1250 (5) | 0.4188 (4) | 0.073 (2) | |
H7A | 0.4502 | 0.121 | 0.3839 | 0.088* | |
H7B | 0.4802 | 0.1273 | 0.4733 | 0.088* | |
C8 | 0.5578 (6) | 0.0508 (5) | 0.4080 (4) | 0.078 (2) | |
H8A | 0.6136 | 0.0593 | 0.4355 | 0.093* | |
H8B | 0.5294 | 0.0006 | 0.4301 | 0.093* | |
C9 | 0.6331 (5) | −0.0281 (5) | 0.3088 (6) | 0.078 (2) | |
H9A | 0.6152 | −0.0793 | 0.3368 | 0.094* | |
H9B | 0.692 | −0.0127 | 0.3267 | 0.094* | |
C10 | 0.6342 (5) | −0.0440 (5) | 0.2244 (6) | 0.077 (2) | |
H10A | 0.5744 | −0.0529 | 0.2051 | 0.092* | |
H10B | 0.6687 | −0.0946 | 0.2128 | 0.092* | |
C11 | 0.6685 (6) | 0.0250 (6) | 0.1025 (5) | 0.089 (3) | |
H11A | 0.6074 | 0.0285 | 0.0851 | 0.107* | |
H11B | 0.6931 | −0.0286 | 0.0842 | 0.107* | |
C12 | 0.7199 (6) | 0.0972 (7) | 0.0701 (5) | 0.097 (3) | |
H12A | 0.7785 | 0.0978 | 0.0937 | 0.116* | |
H12B | 0.7264 | 0.0908 | 0.013 | 0.116* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cr1 | 0.0728 (9) | 0.0671 (8) | 0.0699 (9) | −0.0048 (7) | 0.0084 (7) | 0.0034 (6) |
K1 | 0.0902 (12) | 0.0465 (8) | 0.0501 (9) | −0.0006 (8) | 0.0122 (8) | 0.0027 (7) |
Cl1 | 0.228 (4) | 0.0699 (14) | 0.0827 (17) | −0.0107 (17) | 0.026 (2) | 0.0125 (12) |
O1 | 0.068 (3) | 0.112 (4) | 0.055 (3) | −0.011 (3) | 0.008 (3) | 0.005 (3) |
O2 | 0.060 (3) | 0.066 (3) | 0.079 (4) | −0.010 (3) | −0.015 (3) | 0.020 (3) |
O3 | 0.063 (3) | 0.043 (3) | 0.074 (3) | −0.001 (2) | −0.017 (3) | −0.005 (2) |
O4 | 0.068 (3) | 0.058 (3) | 0.054 (3) | 0.001 (3) | 0.004 (2) | −0.003 (2) |
O5 | 0.060 (3) | 0.047 (3) | 0.069 (3) | 0.001 (2) | 0.004 (2) | 0.001 (2) |
O6 | 0.071 (3) | 0.067 (3) | 0.075 (4) | 0.003 (3) | 0.001 (3) | −0.019 (3) |
O7 | 0.217 (9) | 0.143 (7) | 0.359 (15) | −0.100 (7) | −0.174 (10) | 0.143 (9) |
O8 | 0.110 (6) | 0.238 (10) | 0.211 (11) | 0.049 (7) | 0.013 (6) | 0.101 (9) |
O9 | 0.65 (3) | 0.173 (10) | 0.113 (8) | −0.021 (12) | 0.172 (13) | −0.001 (7) |
C1 | 0.072 (6) | 0.183 (11) | 0.053 (5) | −0.044 (7) | −0.002 (4) | 0.016 (6) |
C2 | 0.090 (7) | 0.112 (7) | 0.081 (7) | −0.038 (6) | −0.025 (5) | 0.046 (6) |
C3 | 0.089 (7) | 0.080 (7) | 0.144 (10) | −0.022 (5) | −0.003 (7) | 0.047 (7) |
C4 | 0.095 (7) | 0.041 (4) | 0.158 (11) | −0.003 (4) | −0.005 (7) | −0.004 (5) |
C5 | 0.109 (7) | 0.056 (5) | 0.085 (7) | 0.027 (5) | −0.021 (6) | −0.024 (5) |
C6 | 0.098 (6) | 0.098 (6) | 0.057 (5) | 0.049 (6) | 0.007 (5) | −0.007 (5) |
C7 | 0.068 (5) | 0.108 (6) | 0.044 (4) | −0.005 (5) | 0.007 (4) | 0.000 (4) |
C8 | 0.110 (7) | 0.068 (5) | 0.055 (5) | −0.028 (5) | 0.004 (5) | 0.013 (4) |
C9 | 0.073 (5) | 0.049 (4) | 0.113 (7) | 0.002 (4) | 0.005 (5) | 0.009 (5) |
C10 | 0.072 (5) | 0.045 (4) | 0.113 (7) | 0.002 (4) | 0.000 (5) | −0.023 (4) |
C11 | 0.089 (6) | 0.104 (7) | 0.075 (6) | 0.020 (6) | −0.007 (5) | −0.029 (6) |
C12 | 0.084 (7) | 0.152 (9) | 0.055 (5) | 0.046 (7) | 0.001 (5) | −0.020 (6) |
Geometric parameters (Å, º) top
Cr1—O8 | 1.592 (4) | C2—H2A | 0.97 |
Cr1—O7 | 1.597 (4) | C2—H2B | 0.97 |
Cr1—O9 | 1.604 (5) | C3—C4 | 1.485 (14) |
Cr1—Cl1 | 2.151 (3) | C3—H3A | 0.97 |
K1—O1 | 2.804 (5) | C3—H3B | 0.97 |
K1—O2 | 2.785 (5) | C4—H4A | 0.97 |
K1—O3 | 2.800 (5) | C4—H4B | 0.97 |
K1—O4 | 2.811 (5) | C5—C6 | 1.427 (11) |
K1—O5 | 2.815 (4) | C5—H5A | 0.97 |
K1—O6 | 2.836 (5) | C5—H5B | 0.97 |
K1—O8 | 2.983 (10) | C6—H6A | 0.97 |
K1—O7i | 3.522 (14) | C6—H6B | 0.97 |
K1—O9i | 3.474 (16) | C7—C8 | 1.456 (10) |
O1—C1 | 1.414 (10) | C7—H7A | 0.97 |
O1—C12 | 1.435 (9) | C7—H7B | 0.97 |
O2—C2 | 1.416 (11) | C8—H8A | 0.97 |
O2—C3 | 1.418 (11) | C8—H8B | 0.97 |
O3—C5 | 1.414 (9) | C9—C10 | 1.440 (11) |
O3—C4 | 1.417 (9) | C9—H9A | 0.97 |
O4—C7 | 1.411 (8) | C9—H9B | 0.97 |
O4—C6 | 1.427 (7) | C10—H10A | 0.97 |
O5—C8 | 1.408 (8) | C10—H10B | 0.97 |
O5—C9 | 1.423 (8) | C11—C12 | 1.477 (12) |
O6—C11 | 1.400 (9) | C11—H11A | 0.97 |
O6—C10 | 1.462 (9) | C11—H11B | 0.97 |
C1—C2 | 1.497 (13) | C12—H12A | 0.97 |
C1—H1A | 0.97 | C12—H12B | 0.97 |
C1—H1B | 0.97 | | |
| | | |
O8—Cr1—O7 | 107.1 (6) | O2—C2—C1 | 108.8 (7) |
O8—Cr1—O9 | 109.1 (7) | O2—C2—H2A | 109.9 |
O7—Cr1—O9 | 115.0 (7) | C1—C2—H2A | 109.9 |
O8—Cr1—Cl1 | 109.6 (3) | O2—C2—H2B | 109.9 |
O7—Cr1—Cl1 | 107.9 (3) | C1—C2—H2B | 109.9 |
O9—Cr1—Cl1 | 108.0 (4) | H2A—C2—H2B | 108.3 |
O2—K1—O3 | 61.99 (17) | O2—C3—C4 | 110.9 (8) |
O2—K1—O1 | 61.31 (17) | O2—C3—H3A | 109.5 |
O3—K1—O1 | 120.95 (17) | C4—C3—H3A | 109.5 |
O2—K1—O4 | 120.93 (16) | O2—C3—H3B | 109.5 |
O3—K1—O4 | 60.39 (14) | C4—C3—H3B | 109.5 |
O1—K1—O4 | 176.27 (16) | H3A—C3—H3B | 108.1 |
O2—K1—O5 | 177.62 (15) | O3—C4—C3 | 108.6 (7) |
O3—K1—O5 | 119.79 (15) | O3—C4—H4A | 110 |
O1—K1—O5 | 117.43 (16) | C3—C4—H4A | 110 |
O4—K1—O5 | 60.45 (13) | O3—C4—H4B | 110 |
O2—K1—O6 | 118.54 (18) | C3—C4—H4B | 110 |
O3—K1—O6 | 178.82 (16) | H4A—C4—H4B | 108.3 |
O1—K1—O6 | 59.89 (17) | O3—C5—C6 | 109.0 (7) |
O4—K1—O6 | 118.83 (15) | O3—C5—H5A | 109.9 |
O5—K1—O6 | 59.64 (15) | C6—C5—H5A | 109.9 |
O2—K1—O8 | 75.80 (19) | O3—C5—H5B | 109.9 |
O3—K1—O8 | 76.54 (19) | C6—C5—H5B | 109.9 |
O1—K1—O8 | 104.1 (2) | H5A—C5—H5B | 108.3 |
O4—K1—O8 | 79.55 (19) | C5—C6—O4 | 109.0 (7) |
O5—K1—O8 | 102.88 (19) | C5—C6—H6A | 109.9 |
O6—K1—O8 | 102.51 (19) | O4—C6—H6A | 109.9 |
O2—K1—O9i | 113.27 (17) | C5—C6—H6B | 109.9 |
O3—K1—O9i | 81.3 (2) | O4—C6—H6B | 109.9 |
O1—K1—O9i | 106.94 (19) | H6A—C6—H6B | 108.3 |
O4—K1—O9i | 69.56 (17) | O4—C7—C8 | 109.2 (6) |
O5—K1—O9i | 68.91 (16) | O4—C7—H7A | 109.8 |
O6—K1—O9i | 99.3 (2) | C8—C7—H7A | 109.8 |
O8—K1—O9i | 148.1 (2) | O4—C7—H7B | 109.8 |
O2—K1—O7i | 70.04 (13) | C8—C7—H7B | 109.8 |
O3—K1—O7i | 72.05 (16) | H7A—C7—H7B | 108.3 |
O1—K1—O7i | 74.69 (17) | O5—C8—C7 | 108.7 (6) |
O4—K1—O7i | 103.02 (16) | O5—C8—H8A | 110 |
O5—K1—O7i | 111.82 (13) | C7—C8—H8A | 110 |
O6—K1—O7i | 109.09 (17) | O5—C8—H8B | 110 |
O8—K1—O7i | 141.5 (2) | C7—C8—H8B | 110 |
O9i—K1—O7i | 45.40 (13) | H8A—C8—H8B | 108.3 |
C1—O1—C12 | 114.6 (8) | O5—C9—C10 | 109.6 (7) |
C1—O1—K1 | 113.2 (5) | O5—C9—H9A | 109.7 |
C12—O1—K1 | 114.1 (5) | C10—C9—H9A | 109.7 |
C2—O2—C3 | 111.6 (8) | O5—C9—H9B | 109.7 |
C2—O2—K1 | 110.7 (5) | C10—C9—H9B | 109.7 |
C3—O2—K1 | 111.7 (5) | H9A—C9—H9B | 108.2 |
C5—O3—C4 | 113.4 (7) | C9—C10—O6 | 107.8 (6) |
C5—O3—K1 | 112.0 (4) | C9—C10—H10A | 110.1 |
C4—O3—K1 | 111.7 (5) | O6—C10—H10A | 110.1 |
C7—O4—C6 | 115.1 (6) | C9—C10—H10B | 110.1 |
C7—O4—K1 | 110.2 (4) | O6—C10—H10B | 110.1 |
C6—O4—K1 | 112.2 (4) | H10A—C10—H10B | 108.5 |
C8—O5—C9 | 113.5 (6) | O6—C11—C12 | 107.1 (7) |
C8—O5—K1 | 113.7 (4) | O6—C11—H11A | 110.3 |
C9—O5—K1 | 112.0 (4) | C12—C11—H11A | 110.3 |
C11—O6—C10 | 112.1 (6) | O6—C11—H11B | 110.3 |
C11—O6—K1 | 113.0 (5) | C12—C11—H11B | 110.3 |
C10—O6—K1 | 115.3 (4) | H11A—C11—H11B | 108.6 |
Cr1—O8—K1 | 125.2 (6) | O1—C12—C11 | 109.7 (7) |
O1—C1—C2 | 107.6 (7) | O1—C12—H12A | 109.7 |
O1—C1—H1A | 110.2 | C11—C12—H12A | 109.7 |
C2—C1—H1A | 110.2 | O1—C12—H12B | 109.7 |
O1—C1—H1B | 110.2 | C11—C12—H12B | 109.7 |
C2—C1—H1B | 110.2 | H12A—C12—H12B | 108.2 |
H1A—C1—H1B | 108.5 | | |
| | | |
O2—K1—O1—C1 | 14.4 (5) | O3—K1—O5—C9 | −154.8 (5) |
O3—K1—O1—C1 | 32.2 (6) | O1—K1—O5—C9 | 40.5 (5) |
O5—K1—O1—C1 | −163.3 (5) | O4—K1—O5—C9 | −143.0 (5) |
O6—K1—O1—C1 | −146.8 (6) | O6—K1—O5—C9 | 24.0 (5) |
O8—K1—O1—C1 | −50.4 (6) | O8—K1—O5—C9 | −73.1 (5) |
O9i—K1—O1—C1 | 122.1 (6) | O9i—K1—O5—C9 | 139.2 (5) |
O7i—K1—O1—C1 | 89.7 (6) | O7i—K1—O5—C9 | 124.0 (5) |
O2—K1—O1—C12 | 148.0 (6) | O2—K1—O6—C11 | −41.1 (6) |
O3—K1—O1—C12 | 165.7 (5) | O1—K1—O6—C11 | −22.4 (5) |
O5—K1—O1—C12 | −29.8 (6) | O4—K1—O6—C11 | 153.6 (5) |
O6—K1—O1—C12 | −13.3 (5) | O5—K1—O6—C11 | 140.6 (6) |
O8—K1—O1—C12 | 83.1 (6) | O8—K1—O6—C11 | −121.6 (6) |
O9i—K1—O1—C12 | −104.3 (6) | O9i—K1—O6—C11 | 81.9 (5) |
O7i—K1—O1—C12 | −136.7 (5) | O7i—K1—O6—C11 | 36.0 (5) |
O3—K1—O2—C2 | −140.8 (6) | O2—K1—O6—C10 | −171.8 (4) |
O1—K1—O2—C2 | 22.0 (5) | O1—K1—O6—C10 | −153.1 (5) |
O4—K1—O2—C2 | −154.6 (5) | O4—K1—O6—C10 | 22.8 (5) |
O6—K1—O2—C2 | 40.4 (6) | O5—K1—O6—C10 | 9.9 (4) |
O8—K1—O2—C2 | 137.1 (6) | O8—K1—O6—C10 | 107.7 (5) |
O9i—K1—O2—C2 | −75.3 (6) | O9i—K1—O6—C10 | −48.9 (5) |
O7i—K1—O2—C2 | −61.0 (6) | O7i—K1—O6—C10 | −94.7 (5) |
O3—K1—O2—C3 | −15.7 (6) | O7—Cr1—O8—K1 | 165.1 (5) |
O1—K1—O2—C3 | 147.0 (6) | O9—Cr1—O8—K1 | 40.0 (7) |
O4—K1—O2—C3 | −29.5 (6) | Cl1—Cr1—O8—K1 | −78.0 (5) |
O6—K1—O2—C3 | 165.5 (6) | O2—K1—O8—Cr1 | −115.8 (5) |
O8—K1—O2—C3 | −97.8 (6) | O3—K1—O8—Cr1 | −179.9 (5) |
O9i—K1—O2—C3 | 49.8 (6) | O1—K1—O8—Cr1 | −60.9 (5) |
O7i—K1—O2—C3 | 64.0 (6) | O4—K1—O8—Cr1 | 118.3 (5) |
O2—K1—O3—C5 | −147.4 (5) | O5—K1—O8—Cr1 | 62.1 (5) |
O1—K1—O3—C5 | −165.1 (5) | O6—K1—O8—Cr1 | 0.8 (5) |
O4—K1—O3—C5 | 19.0 (5) | O9i—K1—O8—Cr1 | 132.8 (5) |
O5—K1—O3—C5 | 30.8 (5) | O7i—K1—O8—Cr1 | −143.9 (4) |
O8—K1—O3—C5 | −66.5 (5) | C12—O1—C1—C2 | 179.2 (7) |
O9i—K1—O3—C5 | 90.3 (5) | K1—O1—C1—C2 | −47.5 (8) |
O7i—K1—O3—C5 | 136.1 (5) | C3—O2—C2—C1 | 178.7 (7) |
O2—K1—O3—C4 | −18.9 (5) | K1—O2—C2—C1 | −56.2 (8) |
O1—K1—O3—C4 | −36.6 (6) | C2—O2—C3—C4 | 173.6 (7) |
O4—K1—O3—C4 | 147.5 (6) | K1—O2—C3—C4 | 49.0 (8) |
O5—K1—O3—C4 | 159.3 (5) | C5—O3—C4—C3 | 178.7 (7) |
O8—K1—O3—C4 | 62.0 (6) | K1—O3—C4—C3 | 50.9 (8) |
O9i—K1—O3—C4 | −141.2 (6) | C4—O3—C5—C6 | 178.9 (6) |
O7i—K1—O3—C4 | −95.4 (6) | K1—O3—C5—C6 | −53.5 (7) |
O2—K1—O4—C7 | 159.6 (4) | C7—O4—C6—C5 | −177.2 (6) |
O3—K1—O4—C7 | 145.6 (5) | K1—O4—C6—C5 | −50.0 (7) |
O5—K1—O4—C7 | −22.6 (4) | C6—O4—C7—C8 | −174.9 (6) |
O6—K1—O4—C7 | −35.4 (5) | K1—O4—C7—C8 | 57.0 (6) |
O8—K1—O4—C7 | −134.0 (5) | C9—O5—C8—C7 | 175.7 (6) |
O9i—K1—O4—C7 | 54.1 (4) | K1—O5—C8—C7 | 46.0 (7) |
O7i—K1—O4—C7 | 85.3 (4) | C8—O5—C9—C10 | 171.1 (6) |
O2—K1—O4—C6 | 29.9 (5) | K1—O5—C9—C10 | −58.4 (7) |
O3—K1—O4—C6 | 15.9 (5) | C11—O6—C10—C9 | −173.4 (7) |
O5—K1—O4—C6 | −152.3 (5) | K1—O6—C10—C9 | −42.3 (7) |
O6—K1—O4—C6 | −165.1 (5) | C10—O6—C11—C12 | −172.9 (6) |
O8—K1—O4—C6 | 96.2 (5) | K1—O6—C11—C12 | 54.8 (8) |
O9i—K1—O4—C6 | −75.7 (5) | C1—O1—C12—C11 | 179.8 (7) |
O7i—K1—O4—C6 | −44.4 (5) | K1—O1—C12—C11 | 46.9 (8) |
O3—K1—O5—C8 | −24.4 (5) | O1—C1—C2—O2 | 71.3 (8) |
O1—K1—O5—C8 | 170.9 (5) | O2—C3—C4—O3 | −69.4 (9) |
O4—K1—O5—C8 | −12.6 (5) | O3—C5—C6—O4 | 70.9 (8) |
O6—K1—O5—C8 | 154.4 (5) | O4—C7—C8—O5 | −71.0 (7) |
O8—K1—O5—C8 | 57.3 (5) | O5—C9—C10—O6 | 67.4 (8) |
O9i—K1—O5—C8 | −90.4 (5) | O6—C11—C12—O1 | −68.7 (9) |
O7i—K1—O5—C8 | −105.6 (5) | | |
Symmetry code: (i) x−1/2, y, −z+1/2. |
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