(cis-syn-cis-Di­cyclo­hexano-18-crown-6)­potassium chloro­chromate

The title compound, (cis-syn-cis-icosa­hydro­dibenzo­[b,k][1,4,7,10,13,16]­hexaoxa­cyclo­octadecin)­potassium chloro­chromate, [K(C₂₀H₃₆O₆)][CrClO₃], is the complex of a potassium cation with one crown ether mol­ecule and a chloro­chromate anion. The cation is situated in the macrocyclic cavity and bonded to the ether O atoms with K-O distances in the range 2.749 (4)-2.991 (3) Å. It also forms two bonds with O atoms of the anion [2.789 (5) and 3.315 (7) Å].

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.009 Å
• R factor = 0.038
• wR factor = 0.091
• Data-to-parameter ratio = 8.2

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors  for         O8

Alert level C
PLAT034_ALERT_1_C No Flack Parameter Given. Z .GT. Si, NonCentro .          ?
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         C9
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C12
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        Cr1
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9

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           25.06
           From the CIF: _reflns_number_total               2367
           Count of symmetry unique reflns         2403
           Completeness (_total/calc)             98.50%
           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
   5 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
   4 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

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-syn-cis- icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin)potassium chlorochromate

Crystal data

[K(C20H36O6)][CrClO3]	F(000) = 576
Mr = 547.04	Dx = 1.426 Mg m^−3
Monoclinic, P21	Melting point: 381-385 K (decomposed) K
Hall symbol: P 2yb	Mo Kα radiation, λ = 0.71073 Å
a = 8.8828 (17) Å	Cell parameters from 24 reflections
b = 10.271 (2) Å	θ = 12–15°
c = 14.408 (3) Å	µ = 0.76 mm^−1
β = 104.306 (17)°	T = 293 K
V = 1273.8 (4) Å^3	Block, pale orange
Z = 2	0.20 × 0.20 × 0.10 mm

Data collection

Siemens P3/PC diffractometer	Rint = 0.046
Radiation source: fine-focus sealed tube	θmax = 25.1°, θmin = 2.4°
Graphite monochromator	h = 0→10
θ–2θ scans	k = 0→12
2518 measured reflections	l = −17→16
2367 independent reflections	2 standard reflections every 98 reflections
1729 reflections with I > 2σ(I)	intensity decay: 5%

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.038	H-atom parameters constrained
wR(F^2) = 0.091	w = 1/[σ^2(Fo^2) + (0.0528P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.93	(Δ/σ)max < 0.001
2367 reflections	Δρmax = 0.26 e Å^−3
289 parameters	Δρmin = −0.23 e Å^−3
1 restraint	Absolute structure: Flack H D (1983), no Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.02 (4)

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cr1	0.14117 (10)	0.56239 (8)	0.72275 (6)	0.0538 (3)
K1	0.35321 (12)	0.87197 (11)	0.76127 (7)	0.0449 (3)
Cl1	0.0261 (2)	0.4939 (2)	0.83219 (12)	0.0774 (5)
O7	0.0493 (7)	0.6841 (6)	0.6699 (4)	0.0942 (16)
O8	0.3160 (5)	0.6035 (5)	0.7741 (3)	0.0833 (14)
O9	0.1365 (5)	0.4446 (5)	0.6498 (3)	0.0813 (14)
O6	0.2407 (4)	0.9603 (5)	0.9157 (3)	0.0650 (12)
O5	0.0854 (4)	1.0277 (4)	0.7285 (3)	0.0602 (12)
O4	0.2609 (4)	1.0096 (5)	0.5931 (2)	0.0618 (11)
O3	0.5399 (3)	0.8853 (4)	0.6149 (2)	0.0433 (8)
O2	0.6761 (4)	0.8291 (3)	0.8133 (2)	0.0435 (9)
O1	0.5094 (4)	0.8228 (4)	0.9617 (2)	0.0486 (10)
C1	0.2874 (6)	0.8947 (6)	1.0067 (4)	0.0552 (16)
H1	0.2509	0.9463	1.0540	0.066*
C2	0.4619 (6)	0.8931 (6)	1.0355 (3)	0.0501 (14)
H2	0.5007	0.9826	1.0376	0.060*
C3	0.6732 (6)	0.8083 (8)	0.9774 (4)	0.0669 (19)
H3A	0.7135	0.7562	1.0342	0.080*
H3B	0.7230	0.8930	0.9870	0.080*
C4	0.7063 (6)	0.7446 (7)	0.8936 (4)	0.0576 (16)
H4A	0.8144	0.7179	0.9085	0.069*
H4B	0.6425	0.6671	0.8780	0.069*
C5	0.7245 (6)	0.7746 (7)	0.7357 (3)	0.0559 (15)
H5A	0.6640	0.6971	0.7131	0.067*
H5B	0.8330	0.7496	0.7562	0.067*
C6	0.7032 (5)	0.8720 (7)	0.6565 (3)	0.0551 (15)
H6A	0.7472	0.9551	0.6813	0.066*
H6B	0.7553	0.8427	0.6085	0.066*
C7	0.5025 (6)	0.9926 (5)	0.5506 (3)	0.0451 (12)
H7	0.5354	1.0735	0.5859	0.054*
C8	0.3269 (6)	0.9934 (6)	0.5136 (3)	0.0470 (13)
H8	0.2980	1.0689	0.4713	0.056*
C9	0.0987 (7)	1.0396 (10)	0.5677 (4)	0.093 (3)
H9A	0.0384	0.9602	0.5535	0.112*
H9B	0.0743	1.0945	0.5112	0.112*
C10	0.0602 (9)	1.1072 (8)	0.6481 (6)	0.083 (2)
H10A	0.1235	1.1850	0.6632	0.099*
H10B	−0.0480	1.1337	0.6302	0.099*
C11	0.0582 (7)	1.0892 (9)	0.8095 (5)	0.084 (2)
H11A	−0.0474	1.1219	0.7950	0.101*
H11B	0.1282	1.1626	0.8269	0.101*
C12	0.0821 (7)	0.9975 (11)	0.8906 (5)	0.094 (3)
H12A	0.0548	1.0388	0.9447	0.113*
H12B	0.0167	0.9215	0.8725	0.113*
C13	0.5178 (8)	0.8317 (6)	1.1342 (4)	0.0613 (17)
H13A	0.6305	0.8295	1.1516	0.074*
H13B	0.4845	0.8852	1.1809	0.074*
C14	0.4562 (9)	0.6948 (7)	1.1378 (5)	0.072 (2)
H14A	0.4981	0.6383	1.0964	0.087*
H14B	0.4887	0.6613	1.2026	0.087*
C15	0.2812 (10)	0.6963 (7)	1.1055 (6)	0.083 (2)
H15A	0.2402	0.7448	1.1515	0.100*
H15B	0.2429	0.6077	1.1042	0.100*
C16	0.2218 (8)	0.7572 (7)	1.0064 (5)	0.075 (2)
H16A	0.2539	0.7045	0.9588	0.090*
H16B	0.1092	0.7604	0.9900	0.090*
C17	0.2703 (6)	0.8711 (6)	0.4556 (4)	0.0569 (14)
H17A	0.2956	0.7948	0.4961	0.068*
H17B	0.1584	0.8745	0.4309	0.068*
C18	0.3484 (7)	0.8623 (7)	0.3731 (4)	0.0646 (16)
H18A	0.3168	0.7822	0.3380	0.077*
H18B	0.3142	0.9345	0.3296	0.077*
C19	0.5217 (7)	0.8651 (7)	0.4070 (4)	0.0654 (17)
H19A	0.5668	0.8644	0.3522	0.078*
H19B	0.5572	0.7880	0.4449	0.078*
C20	0.5752 (7)	0.9850 (7)	0.4666 (4)	0.0565 (15)
H20A	0.5474	1.0619	0.4270	0.068*
H20B	0.6874	0.9831	0.4897	0.068*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cr1	0.0495 (5)	0.0471 (5)	0.0601 (5)	0.0073 (5)	0.0046 (4)	−0.0046 (5)
K1	0.0398 (6)	0.0512 (7)	0.0440 (6)	0.0082 (6)	0.0110 (5)	0.0021 (6)
Cl1	0.0758 (11)	0.0827 (12)	0.0731 (10)	−0.0001 (10)	0.0172 (9)	0.0094 (10)
O7	0.108 (4)	0.093 (4)	0.087 (3)	0.042 (3)	0.033 (3)	0.034 (3)
O8	0.060 (3)	0.069 (3)	0.110 (4)	−0.017 (2)	−0.002 (2)	−0.011 (3)
O9	0.073 (3)	0.079 (3)	0.092 (3)	−0.006 (3)	0.021 (3)	−0.030 (3)
O6	0.036 (2)	0.102 (4)	0.059 (2)	0.005 (2)	0.0177 (17)	−0.016 (3)
O5	0.051 (2)	0.068 (3)	0.063 (2)	0.016 (2)	0.0166 (19)	−0.006 (2)
O4	0.048 (2)	0.087 (3)	0.049 (2)	0.026 (2)	0.0092 (17)	0.013 (2)
O3	0.0328 (17)	0.055 (2)	0.0396 (17)	0.0040 (18)	0.0045 (14)	0.0084 (19)
O2	0.0418 (18)	0.055 (2)	0.0339 (16)	0.0103 (17)	0.0106 (14)	0.0081 (16)
O1	0.0350 (18)	0.076 (3)	0.0366 (18)	−0.0131 (18)	0.0118 (14)	−0.0059 (19)
C1	0.056 (3)	0.070 (4)	0.046 (3)	−0.017 (3)	0.024 (3)	−0.029 (3)
C2	0.061 (3)	0.055 (4)	0.035 (3)	−0.016 (3)	0.014 (2)	−0.004 (3)
C3	0.046 (3)	0.110 (5)	0.042 (3)	−0.001 (4)	0.006 (2)	0.025 (4)
C4	0.038 (3)	0.079 (4)	0.054 (3)	0.017 (3)	0.010 (3)	0.031 (3)
C5	0.046 (3)	0.069 (4)	0.051 (3)	0.025 (3)	0.009 (3)	0.001 (3)
C6	0.033 (3)	0.097 (5)	0.036 (2)	0.009 (3)	0.011 (2)	0.003 (3)
C7	0.051 (3)	0.039 (3)	0.044 (3)	−0.005 (3)	0.009 (2)	−0.003 (3)
C8	0.049 (3)	0.047 (3)	0.043 (3)	0.012 (3)	0.010 (2)	0.011 (3)
C9	0.055 (4)	0.161 (9)	0.058 (3)	0.051 (5)	0.006 (3)	0.020 (5)
C10	0.058 (4)	0.085 (6)	0.106 (6)	0.030 (4)	0.020 (4)	0.016 (5)
C11	0.050 (4)	0.106 (7)	0.092 (5)	0.025 (4)	0.010 (3)	−0.039 (5)
C12	0.051 (4)	0.172 (9)	0.062 (4)	0.017 (5)	0.020 (3)	−0.012 (5)
C13	0.085 (4)	0.060 (4)	0.041 (3)	−0.019 (4)	0.020 (3)	−0.011 (3)
C14	0.111 (6)	0.066 (4)	0.051 (3)	−0.018 (4)	0.041 (4)	−0.005 (3)
C15	0.114 (7)	0.056 (4)	0.102 (6)	−0.024 (4)	0.069 (5)	−0.013 (4)
C16	0.058 (4)	0.082 (5)	0.093 (5)	−0.032 (4)	0.033 (4)	−0.032 (4)
C17	0.043 (3)	0.056 (4)	0.061 (3)	−0.002 (3)	−0.006 (2)	0.001 (3)
C18	0.076 (4)	0.066 (4)	0.042 (3)	0.005 (4)	−0.002 (3)	−0.002 (3)
C19	0.067 (4)	0.086 (5)	0.045 (3)	−0.005 (4)	0.017 (3)	−0.014 (4)
C20	0.063 (4)	0.063 (4)	0.047 (3)	−0.005 (3)	0.019 (3)	0.013 (3)

Geometric parameters (Å, º)

Cr1—O7	1.582 (5)	C6—H6A	0.9700
Cr1—O9	1.597 (4)	C6—H6B	0.9700
Cr1—O8	1.603 (4)	C7—C20	1.509 (6)
Cr1—Cl1	2.1960 (19)	C7—C8	1.519 (7)
Cr1—K1	3.6673 (16)	C7—H7	0.9800
K1—O1	2.922 (3)	C8—C17	1.524 (8)
K1—O2	2.814 (3)	C8—H8	0.9800
K1—O3	2.991 (3)	C9—C10	1.462 (9)
K1—O4	2.749 (4)	C9—H9A	0.9700
K1—O5	2.808 (4)	C9—H9B	0.9700
K1—O6	2.806 (4)	C10—H10A	0.9700
K1—O7	3.315 (7)	C10—H10B	0.9700
K1—O8	2.789 (5)	C11—C12	1.474 (11)
K1—C4	3.497 (5)	C11—H11A	0.9700
O6—C12	1.418 (7)	C11—H11B	0.9700
O6—C1	1.440 (7)	C12—H12A	0.9700
O5—C10	1.390 (8)	C12—H12B	0.9700
O5—C11	1.400 (7)	C13—C14	1.514 (9)
O4—C8	1.420 (6)	C13—H13A	0.9700
O4—C9	1.430 (6)	C13—H13B	0.9700
O3—C7	1.425 (6)	C14—C15	1.509 (10)
O3—C6	1.432 (5)	C14—H14A	0.9700
O2—C5	1.411 (6)	C14—H14B	0.9700
O2—C4	1.417 (6)	C15—C16	1.529 (10)
O1—C3	1.424 (6)	C15—H15A	0.9700
O1—C2	1.432 (6)	C15—H15B	0.9700
C1—C2	1.502 (7)	C16—H16A	0.9700
C1—C16	1.528 (9)	C16—H16B	0.9700
C1—H1	0.9800	C17—C18	1.519 (8)
C2—C13	1.522 (7)	C17—H17A	0.9700
C2—H2	0.9800	C17—H17B	0.9700
C3—C4	1.466 (9)	C18—C19	1.496 (8)
C3—H3A	0.9700	C18—H18A	0.9700
C3—H3B	0.9700	C18—H18B	0.9700
C4—H4A	0.9700	C19—C20	1.509 (9)
C4—H4B	0.9700	C19—H19A	0.9700
C5—C6	1.494 (8)	C19—H19B	0.9700
C5—H5A	0.9700	C20—H20A	0.9700
C5—H5B	0.9700	C20—H20B	0.9700
O7—Cr1—O9	110.8 (3)	C3—C4—H4B	109.4
O7—Cr1—O8	109.9 (3)	K1—C4—H4B	77.7
O9—Cr1—O8	111.6 (2)	H4A—C4—H4B	108.0
O7—Cr1—Cl1	108.81 (19)	O2—C5—C6	109.5 (5)
O9—Cr1—Cl1	106.84 (19)	O2—C5—H5A	109.8
O8—Cr1—Cl1	108.84 (19)	C6—C5—H5A	109.8
O7—Cr1—K1	64.7 (2)	O2—C5—H5B	109.8
O9—Cr1—K1	133.25 (18)	C6—C5—H5B	109.8
O8—Cr1—K1	45.49 (18)	H5A—C5—H5B	108.2
Cl1—Cr1—K1	118.80 (6)	O3—C6—C5	107.9 (4)
O4—K1—O8	123.53 (14)	O3—C6—H6A	110.1
O4—K1—O6	116.47 (13)	C5—C6—H6A	110.1
O8—K1—O6	101.29 (15)	O3—C6—H6B	110.1
O4—K1—O5	60.22 (11)	C5—C6—H6B	110.1
O8—K1—O5	117.71 (13)	H6A—C6—H6B	108.4
O6—K1—O5	59.75 (12)	O3—C7—C20	113.8 (5)
O4—K1—O2	112.19 (11)	O3—C7—C8	106.7 (4)
O8—K1—O2	87.55 (12)	C20—C7—C8	108.9 (4)
O6—K1—O2	112.23 (10)	O3—C7—H7	109.1
O5—K1—O2	154.05 (12)	C20—C7—H7	109.1
O4—K1—O1	157.67 (13)	C8—C7—H7	109.1
O8—K1—O1	78.40 (13)	O4—C8—C7	108.0 (4)
O6—K1—O1	56.44 (11)	O4—C8—C17	113.2 (4)
O5—K1—O1	116.11 (11)	C7—C8—C17	111.1 (4)
O2—K1—O1	60.38 (9)	O4—C8—H8	108.1
O4—K1—O3	56.74 (10)	C7—C8—H8	108.1
O8—K1—O3	100.80 (13)	C17—C8—H8	108.1
O6—K1—O3	155.88 (13)	O4—C9—C10	108.5 (5)
O5—K1—O3	116.72 (11)	O4—C9—H9A	110.0
O2—K1—O3	59.27 (9)	C10—C9—H9A	110.0
O1—K1—O3	119.62 (9)	O4—C9—H9B	110.0
O4—K1—O7	85.01 (12)	C10—C9—H9B	110.0
O8—K1—O7	49.66 (12)	H9A—C9—H9B	108.4
O6—K1—O7	95.07 (12)	O5—C10—C9	111.1 (6)
O5—K1—O7	72.05 (13)	O5—C10—H10A	109.4
O2—K1—O7	133.73 (12)	C9—C10—H10A	109.4
O1—K1—O7	115.68 (11)	O5—C10—H10B	109.4
O3—K1—O7	106.60 (11)	C9—C10—H10B	109.4
O4—K1—C4	134.80 (12)	H10A—C10—H10B	108.0
O8—K1—C4	72.47 (15)	O5—C11—C12	110.6 (7)
O6—K1—C4	97.81 (12)	O5—C11—H11A	109.5
O5—K1—C4	155.96 (13)	C12—C11—H11A	109.5
O2—K1—C4	22.83 (11)	O5—C11—H11B	109.5
O1—K1—C4	41.74 (11)	C12—C11—H11B	109.5
O3—K1—C4	79.78 (11)	H11A—C11—H11B	108.1
O7—K1—C4	122.11 (15)	O6—C12—C11	108.3 (6)
O4—K1—Cr1	106.40 (10)	O6—C12—H12A	110.0
O8—K1—Cr1	24.20 (9)	C11—C12—H12A	110.0
O6—K1—Cr1	97.47 (10)	O6—C12—H12B	110.0
O5—K1—Cr1	94.95 (9)	C11—C12—H12B	110.0
O2—K1—Cr1	110.87 (8)	H12A—C12—H12B	108.4
O1—K1—Cr1	95.77 (8)	C14—C13—C2	112.3 (5)
O3—K1—Cr1	106.65 (8)	C14—C13—H13A	109.1
O7—K1—Cr1	25.55 (9)	C2—C13—H13A	109.1
C4—K1—Cr1	96.66 (12)	C14—C13—H13B	109.1
Cr1—O7—K1	89.8 (2)	C2—C13—H13B	109.1
Cr1—O8—K1	110.3 (2)	H13A—C13—H13B	107.9
C12—O6—C1	113.8 (4)	C15—C14—C13	109.5 (6)
C12—O6—K1	114.2 (3)	C15—C14—H14A	109.8
C1—O6—K1	119.4 (3)	C13—C14—H14A	109.8
C10—O5—C11	113.8 (6)	C15—C14—H14B	109.8
C10—O5—K1	115.5 (3)	C13—C14—H14B	109.8
C11—O5—K1	115.5 (3)	H14A—C14—H14B	108.2
C8—O4—C9	114.2 (4)	C14—C15—C16	112.5 (5)
C8—O4—K1	123.9 (3)	C14—C15—H15A	109.1
C9—O4—K1	113.5 (4)	C16—C15—H15A	109.1
C7—O3—C6	113.3 (4)	C14—C15—H15B	109.1
C7—O3—K1	114.4 (3)	C16—C15—H15B	109.1
C6—O3—K1	112.4 (2)	H15A—C15—H15B	107.8
C5—O2—C4	111.7 (4)	C1—C16—C15	109.4 (5)
C5—O2—K1	110.0 (3)	C1—C16—H16A	109.8
C4—O2—K1	106.8 (3)	C15—C16—H16A	109.8
C3—O1—C2	114.3 (4)	C1—C16—H16B	109.8
C3—O1—K1	113.1 (3)	C15—C16—H16B	109.8
C2—O1—K1	119.5 (3)	H16A—C16—H16B	108.2
O6—C1—C2	107.6 (4)	C18—C17—C8	109.0 (5)
O6—C1—C16	113.9 (5)	C18—C17—H17A	109.9
C2—C1—C16	110.9 (6)	C8—C17—H17A	109.9
O6—C1—H1	108.1	C18—C17—H17B	109.9
C2—C1—H1	108.1	C8—C17—H17B	109.9
C16—C1—H1	108.1	H17A—C17—H17B	108.3
O1—C2—C1	105.9 (4)	C19—C18—C17	112.1 (4)
O1—C2—C13	113.4 (5)	C19—C18—H18A	109.2
C1—C2—C13	109.8 (5)	C17—C18—H18A	109.2
O1—C2—H2	109.2	C19—C18—H18B	109.2
C1—C2—H2	109.2	C17—C18—H18B	109.2
C13—C2—H2	109.2	H18A—C18—H18B	107.9
O1—C3—C4	108.7 (5)	C18—C19—C20	110.9 (6)
O1—C3—H3A	109.9	C18—C19—H19A	109.5
C4—C3—H3A	109.9	C20—C19—H19A	109.5
O1—C3—H3B	109.9	C18—C19—H19B	109.5
C4—C3—H3B	109.9	C20—C19—H19B	109.5
H3A—C3—H3B	108.3	H19A—C19—H19B	108.1
O2—C4—C3	111.2 (5)	C19—C20—C7	111.2 (5)
O2—C4—K1	50.4 (2)	C19—C20—H20A	109.4
C3—C4—K1	86.9 (3)	C7—C20—H20A	109.4
O2—C4—H4A	109.4	C19—C20—H20B	109.4
C3—C4—H4A	109.4	C7—C20—H20B	109.4
K1—C4—H4A	158.7	H20A—C20—H20B	108.0
O2—C4—H4B	109.4
O1—C3—C4—O2	70.8 (7)	O2—K1—O3—C7	−136.1 (3)
O6—C1—C2—O1	−60.5 (6)	O1—K1—O3—C7	−133.9 (3)
O2—C5—C6—O3	−71.5 (6)	O7—K1—O3—C7	92.5 (3)
O3—C7—C8—O4	60.7 (5)	C4—K1—O3—C7	−146.9 (3)
O4—C9—C10—O5	−63.2 (9)	Cr1—K1—O3—C7	119.2 (3)
O5—C11—C12—O6	64.3 (8)	O4—K1—O3—C6	151.2 (4)
O7—Cr1—K1—O4	−34.3 (2)	O8—K1—O3—C6	−85.6 (4)
O9—Cr1—K1—O4	61.1 (3)	O6—K1—O3—C6	70.4 (5)
O8—Cr1—K1—O4	138.6 (3)	O5—K1—O3—C6	145.6 (4)
Cl1—Cr1—K1—O4	−132.79 (10)	O2—K1—O3—C6	−5.1 (4)
O7—Cr1—K1—O8	−172.9 (3)	O1—K1—O3—C6	−2.9 (4)
O9—Cr1—K1—O8	−77.5 (4)	O7—K1—O3—C6	−136.5 (4)
Cl1—Cr1—K1—O8	88.6 (3)	C4—K1—O3—C6	−15.9 (4)
O7—Cr1—K1—O6	86.1 (2)	Cr1—K1—O3—C6	−109.8 (4)
O9—Cr1—K1—O6	−178.4 (3)	O4—K1—O2—C5	−51.6 (4)
O8—Cr1—K1—O6	−101.0 (3)	O8—K1—O2—C5	73.8 (3)
Cl1—Cr1—K1—O6	−12.31 (11)	O6—K1—O2—C5	175.0 (3)
O7—Cr1—K1—O5	26.0 (2)	O5—K1—O2—C5	−118.8 (4)
O9—Cr1—K1—O5	121.5 (3)	O1—K1—O2—C5	151.9 (4)
O8—Cr1—K1—O5	−161.0 (3)	O3—K1—O2—C5	−30.3 (3)
Cl1—Cr1—K1—O5	−72.41 (10)	O7—K1—O2—C5	53.5 (4)
O7—Cr1—K1—O2	−156.6 (2)	C4—K1—O2—C5	121.4 (5)
O9—Cr1—K1—O2	−61.2 (3)	Cr1—K1—O2—C5	67.2 (3)
O8—Cr1—K1—O2	16.3 (3)	O4—K1—O2—C4	−173.0 (3)
Cl1—Cr1—K1—O2	104.97 (9)	O8—K1—O2—C4	−47.5 (3)
O7—Cr1—K1—O1	143.0 (2)	O6—K1—O2—C4	53.7 (4)
O9—Cr1—K1—O1	−121.6 (3)	O5—K1—O2—C4	119.9 (4)
O8—Cr1—K1—O1	−44.1 (3)	O1—K1—O2—C4	30.5 (3)
Cl1—Cr1—K1—O1	44.52 (10)	O3—K1—O2—C4	−151.6 (4)
O7—Cr1—K1—O3	−93.8 (2)	O7—K1—O2—C4	−67.9 (4)
O9—Cr1—K1—O3	1.7 (3)	Cr1—K1—O2—C4	−54.2 (3)
O8—Cr1—K1—O3	79.1 (3)	O4—K1—O1—C3	−73.6 (5)
Cl1—Cr1—K1—O3	167.79 (9)	O8—K1—O1—C3	96.2 (4)
O9—Cr1—K1—O7	95.4 (3)	O6—K1—O1—C3	−151.7 (5)
O8—Cr1—K1—O7	172.9 (3)	O5—K1—O1—C3	−148.4 (4)
Cl1—Cr1—K1—O7	−98.4 (2)	O2—K1—O1—C3	2.4 (4)
O7—Cr1—K1—C4	−175.1 (2)	O3—K1—O1—C3	0.3 (5)
O9—Cr1—K1—C4	−79.6 (3)	O7—K1—O1—C3	129.9 (4)
O8—Cr1—K1—C4	−2.1 (3)	C4—K1—O1—C3	19.6 (4)
Cl1—Cr1—K1—C4	86.50 (11)	Cr1—K1—O1—C3	113.2 (4)
O9—Cr1—O7—K1	−129.1 (2)	O4—K1—O1—C2	65.4 (4)
O8—Cr1—O7—K1	−5.4 (2)	O8—K1—O1—C2	−124.8 (3)
Cl1—Cr1—O7—K1	113.70 (11)	O6—K1—O1—C2	−12.7 (3)
O4—K1—O7—Cr1	147.1 (2)	O5—K1—O1—C2	−9.4 (4)
O8—K1—O7—Cr1	3.80 (17)	O2—K1—O1—C2	141.4 (4)
O6—K1—O7—Cr1	−96.7 (2)	O3—K1—O1—C2	139.3 (3)
O5—K1—O7—Cr1	−152.6 (2)	O7—K1—O1—C2	−91.1 (3)
O2—K1—O7—Cr1	30.9 (3)	C4—K1—O1—C2	158.6 (4)
O1—K1—O7—Cr1	−41.7 (2)	Cr1—K1—O1—C2	−107.8 (3)
O3—K1—O7—Cr1	94.0 (2)	C12—O6—C1—C2	−165.3 (6)
C4—K1—O7—Cr1	5.8 (2)	K1—O6—C1—C2	54.8 (5)
O7—Cr1—O8—K1	6.8 (3)	C12—O6—C1—C16	71.2 (7)
O9—Cr1—O8—K1	130.1 (3)	K1—O6—C1—C16	−68.6 (5)
Cl1—Cr1—O8—K1	−112.23 (18)	C3—O1—C2—C1	−178.8 (5)
O4—K1—O8—Cr1	−49.6 (3)	K1—O1—C2—C1	42.7 (5)
O6—K1—O8—Cr1	83.1 (3)	C3—O1—C2—C13	−58.3 (6)
O5—K1—O8—Cr1	21.4 (3)	K1—O1—C2—C13	163.2 (3)
O2—K1—O8—Cr1	−164.8 (2)	C16—C1—C2—O1	64.8 (6)
O1—K1—O8—Cr1	135.0 (3)	O6—C1—C2—C13	176.7 (5)
O3—K1—O8—Cr1	−106.7 (2)	C16—C1—C2—C13	−58.0 (6)
O7—K1—O8—Cr1	−4.00 (18)	C2—O1—C3—C4	−175.5 (5)
C4—K1—O8—Cr1	177.8 (3)	K1—O1—C3—C4	−34.3 (7)
O4—K1—O6—C12	41.8 (6)	C5—O2—C4—C3	173.1 (5)
O8—K1—O6—C12	−95.0 (6)	K1—O2—C4—C3	−66.7 (5)
O5—K1—O6—C12	20.7 (6)	C5—O2—C4—K1	−120.3 (4)
O2—K1—O6—C12	173.1 (6)	O1—C3—C4—K1	25.7 (5)
O1—K1—O6—C12	−162.7 (6)	O4—K1—C4—O2	9.2 (4)
O3—K1—O6—C12	109.0 (6)	O8—K1—C4—O2	129.4 (4)
O7—K1—O6—C12	−45.1 (6)	O6—K1—C4—O2	−131.2 (3)
C4—K1—O6—C12	−168.5 (6)	O5—K1—C4—O2	−111.3 (4)
Cr1—K1—O6—C12	−70.7 (6)	O1—K1—C4—O2	−138.5 (4)
O4—K1—O6—C1	−178.5 (3)	O3—K1—C4—O2	24.5 (3)
O8—K1—O6—C1	44.7 (4)	O7—K1—C4—O2	127.8 (3)
O5—K1—O6—C1	160.4 (4)	Cr1—K1—C4—O2	130.3 (3)
O2—K1—O6—C1	−47.2 (4)	O4—K1—C4—C3	130.2 (4)
O1—K1—O6—C1	−23.0 (3)	O8—K1—C4—C3	−109.6 (4)
O3—K1—O6—C1	−111.3 (4)	O6—K1—C4—C3	−10.2 (4)
O7—K1—O6—C1	94.6 (4)	O5—K1—C4—C3	9.6 (6)
C4—K1—O6—C1	−28.8 (4)	O2—K1—C4—C3	121.0 (6)
Cr1—K1—O6—C1	69.0 (4)	O1—K1—C4—C3	−17.5 (3)
O4—K1—O5—C10	−8.6 (5)	O3—K1—C4—C3	145.5 (4)
O8—K1—O5—C10	−123.3 (5)	O7—K1—C4—C3	−111.2 (4)
O6—K1—O5—C10	149.6 (5)	Cr1—K1—C4—C3	−108.7 (4)
O2—K1—O5—C10	70.9 (5)	C4—O2—C5—C6	−175.0 (4)
O1—K1—O5—C10	146.4 (5)	K1—O2—C5—C6	66.7 (5)
O3—K1—O5—C10	−3.2 (5)	C7—O3—C6—C5	169.0 (4)
O7—K1—O5—C10	−103.2 (5)	K1—O3—C6—C5	37.4 (5)
C4—K1—O5—C10	126.6 (5)	C6—O3—C7—C20	60.1 (5)
Cr1—K1—O5—C10	−114.7 (5)	K1—O3—C7—C20	−169.3 (3)
O4—K1—O5—C11	−145.0 (5)	C6—O3—C7—C8	−179.8 (4)
O8—K1—O5—C11	100.3 (5)	K1—O3—C7—C8	−49.2 (4)
O6—K1—O5—C11	13.2 (5)	C9—O4—C8—C7	167.5 (6)
O2—K1—O5—C11	−65.4 (5)	K1—O4—C8—C7	−46.6 (6)
O1—K1—O5—C11	10.1 (5)	C9—O4—C8—C17	−69.1 (7)
O3—K1—O5—C11	−139.6 (5)	K1—O4—C8—C17	76.8 (5)
O7—K1—O5—C11	120.5 (5)	C20—C7—C8—O4	−176.0 (5)
C4—K1—O5—C11	−9.7 (6)	O3—C7—C8—C17	−64.0 (5)
Cr1—K1—O5—C11	109.0 (5)	C20—C7—C8—C17	59.3 (6)
O8—K1—O4—C8	−65.0 (4)	C8—O4—C9—C10	−155.8 (6)
O6—K1—O4—C8	168.6 (4)	K1—O4—C9—C10	54.6 (8)
O5—K1—O4—C8	−170.3 (4)	C11—O5—C10—C9	176.9 (6)
O2—K1—O4—C8	37.4 (4)	K1—O5—C10—C9	39.8 (7)
O1—K1—O4—C8	103.0 (5)	C10—O5—C11—C12	178.0 (6)
O3—K1—O4—C8	15.4 (4)	K1—O5—C11—C12	−44.9 (6)
O7—K1—O4—C8	−98.2 (4)	C1—O6—C12—C11	166.7 (6)
C4—K1—O4—C8	33.5 (5)	K1—O6—C12—C11	−51.3 (8)
Cr1—K1—O4—C8	−84.0 (4)	O1—C2—C13—C14	−60.5 (7)
O8—K1—O4—C9	81.1 (5)	C1—C2—C13—C14	57.7 (7)
O6—K1—O4—C9	−45.2 (5)	C2—C13—C14—C15	−55.7 (7)
O5—K1—O4—C9	−24.2 (5)	C13—C14—C15—C16	55.3 (7)
O2—K1—O4—C9	−176.5 (5)	O6—C1—C16—C15	178.9 (5)
O1—K1—O4—C9	−110.8 (5)	C2—C1—C16—C15	57.3 (6)
O3—K1—O4—C9	161.5 (5)	C14—C15—C16—C1	−56.4 (7)
O7—K1—O4—C9	48.0 (5)	O4—C8—C17—C18	−179.5 (4)
C4—K1—O4—C9	179.7 (5)	C7—C8—C17—C18	−57.8 (6)
Cr1—K1—O4—C9	62.1 (5)	C8—C17—C18—C19	55.9 (7)
O4—K1—O3—C7	20.2 (3)	C17—C18—C19—C20	−55.8 (7)
O8—K1—O3—C7	143.4 (3)	C18—C19—C20—C7	56.9 (6)
O6—K1—O3—C7	−60.6 (4)	O3—C7—C20—C19	60.7 (6)
O5—K1—O3—C7	14.6 (3)	C8—C7—C20—C19	−58.2 (7)