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The title compound, [Cu(C17H19O2)2], is the first example of a structurally characterized copper(II) camphorate. The CuII atom shows an aproximately square-planar coordination by four O atoms of the two η2-bonded benzoyl­camphorate groups [average Cu—O = 1.9196 (18) Å].

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806027073/ng2041sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806027073/ng2041Isup2.hkl
Contains datablock I

CCDC reference: 619027

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.037
  • wR factor = 0.095
  • Data-to-parameter ratio = 19.1

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT111_ALERT_2_B ADDSYM Detects (Pseudo) Centre of Symmetry ..... 89 PerFit
Alert level C CRYSC01_ALERT_1_C The word below has not been recognised as a standard identifier. olive PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 3 O2 -CU -O1 -C2 -89.60 0.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 6 O1 -CU -O2 -C12 -96.40 0.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 7 O4 -CU -O3 -C30 -103.80 1.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 10 O3 -CU -O4 -C40 -83.10 1.00 1.555 1.555 1.555 1.555
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 28.26 From the CIF: _reflns_number_total 6888 Count of symmetry unique reflns 3662 Completeness (_total/calc) 188.09% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3226 Fraction of Friedel pairs measured 0.881 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: XDISK (Siemens, 1989); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2005); software used to prepare material for publication: SHELXTL (Sheldrick, 1998).

trans-Bis[(+)-(1R,4R)-3-benzoylcamphorato-κ2O,O']copper(II) top
Crystal data top
[Cu(C17H19O2)2]F(000) = 606
Mr = 574.22Dx = 1.356 Mg m3
Monoclinic, P21Melting point = 513–515 K
Hall symbol: P 2ybMo Kα radiation, λ = 0.71073 Å
a = 11.520 (2) ÅCell parameters from 45 reflections
b = 11.079 (2) Åθ = 6.0–12.5°
c = 12.169 (2) ŵ = 0.81 mm1
β = 115.12 (3)°T = 100 K
V = 1406.1 (5) Å3Plate, olive green
Z = 20.25 × 0.20 × 0.05 mm
Data collection top
Nonius Kappa CCD
diffractometer
6888 independent reflections
Radiation source: fine-focus sealed tube6311 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.092
Detector resolution: 9 pixels mm-1θmax = 28.3°, θmin = 3.9°
φ? ω? scansh = 1515
Absorption correction: numerical
(X-SHAPE; Stoe, 1999)
k = 1414
Tmin = 0.854, Tmax = 0.952l = 1616
42111 measured reflections
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)] = 0.037Only H-atom displacement parameters refined
wR(F2) = 0.095 w = 1/[σ2(Fo2) + (0.0447P)2 + 0.6865P]
where P = (Fo2 + 2Fc2)/3
S = 1.08(Δ/σ)max = 0.001
6888 reflectionsΔρmax = 0.58 e Å3
361 parametersΔρmin = 0.69 e Å3
1 restraintAbsolute structure: Flack (1983), 3226 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.006 (11)
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu1.00391 (3)0.81448 (5)0.74810 (3)0.01426 (7)
O10.95543 (16)0.69430 (16)0.62196 (15)0.0167 (3)
O21.07077 (17)0.93970 (16)0.86925 (16)0.0183 (4)
O30.87570 (17)0.92751 (17)0.65212 (16)0.0177 (4)
O41.11996 (17)0.69454 (16)0.84799 (15)0.0174 (4)
C10.8525 (2)0.6315 (2)0.4087 (2)0.0162 (4)
C20.8803 (2)0.7191 (2)0.5128 (2)0.0139 (4)
C30.8144 (2)0.8275 (3)0.4642 (2)0.0142 (5)
C40.74720 (19)0.8065 (3)0.32741 (19)0.0134 (4)
H4A0.67370.86180.28190.0197 (18)*
C50.8552 (2)0.8047 (2)0.28275 (19)0.0166 (4)
H5A0.81920.79980.19310.017 (2)*
H5B0.91030.87710.31050.017 (2)*
C60.9308 (2)0.6882 (2)0.3428 (2)0.0165 (5)
H6A1.01940.70790.40170.017 (2)*
H6B0.93450.63230.28090.017 (2)*
C70.7122 (2)0.6702 (2)0.3230 (2)0.0154 (4)
C80.6153 (2)0.6435 (2)0.3744 (2)0.0188 (5)
H8A0.53190.67790.32080.0293 (19)*
H8B0.64460.67950.45530.0293 (19)*
H8C0.60690.55600.38020.0293 (19)*
C90.6639 (2)0.6134 (2)0.1967 (2)0.0219 (5)
H9A0.58250.65100.14290.0293 (19)*
H9B0.65090.52660.20240.0293 (19)*
H9C0.72730.62620.16390.0293 (19)*
C100.8795 (2)0.4998 (2)0.4432 (2)0.0197 (5)
H10A0.82450.47230.48140.0293 (19)*
H10B0.96960.49010.50030.0293 (19)*
H10C0.86170.45170.37020.0293 (19)*
C111.1988 (2)1.0108 (2)1.0771 (2)0.0147 (4)
C121.1434 (2)0.9156 (2)0.9787 (2)0.0150 (5)
C131.1931 (2)0.8016 (3)1.0330 (2)0.0144 (5)
C141.2752 (2)0.8300 (3)1.1666 (2)0.0151 (5)
H14A1.29030.76041.22340.0197 (18)*
C151.3976 (2)0.8913 (2)1.1715 (2)0.0172 (4)
H15A1.43770.84271.12860.017 (2)*
H15B1.46090.90481.25630.017 (2)*
C161.3450 (2)1.0125 (2)1.1052 (2)0.0179 (5)
H16A1.35681.01761.02940.017 (2)*
H16B1.38891.08181.15780.017 (2)*
C171.2008 (2)0.9381 (2)1.1879 (2)0.0165 (4)
C181.0677 (2)0.9034 (2)1.1767 (3)0.0228 (5)
H18A1.07630.84391.23930.0293 (19)*
H18B1.01740.86871.09630.0293 (19)*
H18C1.02420.97541.18750.0293 (19)*
C191.2731 (3)1.0020 (2)1.3098 (2)0.0223 (5)
H19A1.28720.94531.37610.0293 (19)*
H19B1.22241.07071.31570.0293 (19)*
H19C1.35591.03091.31570.0293 (19)*
C201.1315 (2)1.1316 (2)1.0468 (3)0.0198 (5)
H20A1.04001.12021.02500.0293 (19)*
H20B1.14231.16780.97830.0293 (19)*
H20C1.16861.18501.11750.0293 (19)*
C300.8153 (2)0.9255 (2)0.5345 (2)0.0146 (5)
C310.7447 (2)1.0398 (2)0.4802 (2)0.0155 (5)
C320.7531 (2)1.0921 (2)0.3789 (2)0.0174 (5)
H32A0.79961.05280.34080.0197 (18)*
C330.6927 (3)1.2025 (3)0.3342 (3)0.0216 (5)
H33A0.69911.23870.26620.0197 (18)*
C340.6236 (3)1.2592 (3)0.3889 (3)0.0231 (6)
H34A0.58261.33410.35820.0197 (18)*
C350.6140 (3)1.2068 (2)0.4887 (3)0.0212 (5)
H35A0.56531.24510.52520.0197 (18)*
C360.6760 (2)1.0984 (2)0.5346 (2)0.0183 (5)
H36A0.67141.06380.60410.0197 (18)*
C401.1838 (2)0.6996 (2)0.9649 (2)0.0144 (5)
C411.2518 (2)0.5855 (2)1.0213 (2)0.0157 (5)
C421.2411 (2)0.5342 (2)1.1212 (2)0.0189 (5)
H42A1.19260.57351.15720.0197 (18)*
C431.3017 (3)0.4252 (2)1.1677 (2)0.0216 (5)
H43A1.29390.38971.23530.0197 (18)*
C441.3737 (3)0.3679 (2)1.1160 (3)0.0219 (5)
H44A1.41560.29381.14870.0197 (18)*
C451.3845 (2)0.4187 (2)1.0169 (2)0.0214 (5)
H45A1.43450.37980.98210.0197 (18)*
C461.3221 (2)0.5271 (2)0.9678 (2)0.0191 (5)
H46A1.32750.56080.89830.0197 (18)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu0.01676 (12)0.01020 (11)0.01264 (11)0.00162 (9)0.00316 (8)0.00087 (9)
O10.0198 (8)0.0119 (8)0.0155 (8)0.0029 (6)0.0047 (6)0.0003 (7)
O20.0217 (8)0.0115 (8)0.0150 (8)0.0008 (7)0.0011 (7)0.0014 (6)
O30.0208 (8)0.0147 (9)0.0147 (8)0.0026 (7)0.0049 (7)0.0006 (7)
O40.0221 (8)0.0119 (9)0.0127 (8)0.0046 (7)0.0022 (7)0.0008 (7)
C10.0168 (10)0.0136 (11)0.0173 (11)0.0007 (8)0.0062 (9)0.0008 (8)
C20.0141 (10)0.0128 (11)0.0143 (11)0.0003 (8)0.0058 (8)0.0010 (8)
C30.0137 (9)0.0132 (14)0.0137 (10)0.0006 (10)0.0038 (8)0.0000 (11)
C40.0135 (8)0.0119 (10)0.0131 (9)0.0010 (10)0.0040 (7)0.0003 (10)
C50.0176 (9)0.0162 (11)0.0147 (9)0.0002 (9)0.0058 (7)0.0011 (9)
C60.0183 (10)0.0146 (11)0.0178 (10)0.0002 (8)0.0088 (8)0.0002 (9)
C70.0158 (10)0.0132 (10)0.0147 (10)0.0009 (8)0.0042 (8)0.0006 (8)
C80.0152 (10)0.0153 (11)0.0237 (12)0.0003 (9)0.0062 (9)0.0022 (9)
C90.0219 (11)0.0187 (12)0.0182 (11)0.0016 (9)0.0019 (9)0.0055 (9)
C100.0220 (11)0.0131 (12)0.0219 (12)0.0007 (9)0.0074 (10)0.0016 (10)
C110.0161 (10)0.0103 (10)0.0165 (10)0.0009 (8)0.0057 (8)0.0002 (8)
C120.0172 (11)0.0119 (11)0.0166 (11)0.0007 (8)0.0079 (9)0.0013 (9)
C130.0170 (9)0.0103 (13)0.0136 (10)0.0003 (10)0.0043 (8)0.0017 (11)
C140.0175 (9)0.0120 (13)0.0145 (10)0.0013 (9)0.0054 (8)0.0001 (9)
C150.0169 (10)0.0148 (10)0.0179 (10)0.0028 (8)0.0056 (8)0.0011 (8)
C160.0164 (10)0.0135 (11)0.0219 (12)0.0003 (8)0.0063 (9)0.0027 (9)
C170.0186 (10)0.0133 (10)0.0169 (10)0.0008 (8)0.0069 (8)0.0015 (8)
C180.0238 (12)0.0175 (13)0.0340 (14)0.0005 (9)0.0190 (11)0.0004 (11)
C190.0320 (13)0.0164 (12)0.0169 (11)0.0020 (10)0.0088 (10)0.0033 (9)
C200.0211 (11)0.0102 (11)0.0240 (13)0.0035 (9)0.0057 (10)0.0000 (10)
C300.0132 (10)0.0153 (12)0.0135 (11)0.0011 (9)0.0039 (9)0.0033 (10)
C310.0139 (10)0.0138 (12)0.0150 (11)0.0006 (9)0.0026 (9)0.0018 (10)
C320.0199 (11)0.0125 (12)0.0186 (12)0.0011 (9)0.0071 (10)0.0001 (10)
C330.0262 (12)0.0143 (13)0.0207 (13)0.0016 (10)0.0064 (10)0.0021 (11)
C340.0256 (13)0.0117 (12)0.0252 (14)0.0038 (10)0.0043 (11)0.0004 (11)
C350.0215 (11)0.0150 (13)0.0260 (14)0.0037 (10)0.0091 (10)0.0009 (11)
C360.0220 (12)0.0117 (13)0.0207 (12)0.0014 (9)0.0085 (10)0.0019 (10)
C400.0151 (10)0.0108 (12)0.0161 (11)0.0016 (9)0.0055 (9)0.0005 (10)
C410.0188 (11)0.0064 (11)0.0170 (12)0.0002 (9)0.0030 (9)0.0009 (9)
C420.0233 (12)0.0123 (12)0.0181 (12)0.0014 (10)0.0059 (10)0.0011 (10)
C430.0282 (13)0.0127 (12)0.0186 (12)0.0013 (10)0.0048 (10)0.0031 (10)
C440.0237 (12)0.0087 (11)0.0236 (14)0.0012 (10)0.0005 (10)0.0032 (10)
C450.0217 (11)0.0143 (13)0.0241 (13)0.0023 (10)0.0057 (10)0.0043 (11)
C460.0205 (12)0.0155 (13)0.0188 (12)0.0000 (9)0.0059 (10)0.0024 (10)
Geometric parameters (Å, º) top
Cu—O11.9269 (18)C14—C171.557 (3)
Cu—O21.9305 (18)C14—H14A1.0000
Cu—O31.9102 (18)C15—C161.551 (3)
Cu—O41.9106 (18)C15—H15A0.9900
O1—C21.270 (3)C15—H15B0.9900
O2—C121.265 (3)C16—H16A0.9900
O3—C301.299 (3)C16—H16B0.9900
O4—C401.296 (3)C17—C181.529 (3)
C1—C21.518 (3)C17—C191.532 (3)
C1—C61.570 (3)C18—H18A0.9800
C1—C71.566 (3)C18—H18B0.9800
C1—C101.514 (3)C18—H18C0.9800
C2—C31.410 (4)C19—H19A0.9800
C3—C41.526 (3)C19—H19B0.9800
C3—C301.380 (4)C19—H19C0.9800
C4—C51.555 (3)C20—H20A0.9800
C4—C71.558 (4)C20—H20B0.9800
C4—H4A1.0000C20—H20C0.9800
C5—C61.555 (3)C30—C311.498 (3)
C5—H5A0.9900C31—C361.389 (3)
C5—H5B0.9900C31—C321.403 (4)
C6—H6A0.9900C32—C331.397 (4)
C6—H6B0.9900C32—H32A0.9500
C7—C81.523 (3)C33—C341.387 (4)
C7—C91.530 (3)C33—H33A0.9500
C8—H8A0.9800C34—C351.392 (4)
C8—H8B0.9800C34—H34A0.9500
C8—H8C0.9800C35—C361.388 (4)
C9—H9A0.9800C35—H35A0.9500
C9—H9B0.9800C36—H36A0.9500
C9—H9C0.9800C40—C411.492 (3)
C10—H10A0.9800C41—C421.394 (4)
C10—H10B0.9800C41—C461.396 (4)
C10—H10C0.9800C42—C431.389 (4)
C11—C121.518 (3)C42—H42A0.9500
C11—C161.571 (3)C43—C441.390 (4)
C11—C171.563 (3)C43—H43A0.9500
C11—C201.511 (3)C44—C451.383 (4)
C12—C131.427 (4)C44—H44A0.9500
C13—C141.527 (3)C45—C461.396 (4)
C13—C401.378 (4)C45—H45A0.9500
C14—C151.544 (3)C46—H46A0.9500
O1—Cu—O2172.57 (8)C15—C14—H14A115.1
O3—Cu—O4174.52 (9)C17—C14—H14A115.1
O1—Cu—O394.51 (8)C14—C15—C16102.27 (18)
O1—Cu—O485.07 (8)C14—C15—H15A111.3
O2—Cu—O387.14 (8)C16—C15—H15A111.3
O2—Cu—O493.98 (8)C14—C15—H15B111.3
Cu—O1—C2121.47 (16)C16—C15—H15B111.3
Cu—O2—C12121.56 (17)H15A—C15—H15B109.2
Cu—O3—C30125.18 (16)C15—C16—C11104.39 (18)
Cu—O4—C40125.86 (17)C15—C16—H16A110.9
C10—C1—C2116.0 (2)C11—C16—H16A110.9
C10—C1—C7118.7 (2)C15—C16—H16B110.9
C2—C1—C799.98 (18)C11—C16—H16B110.9
C10—C1—C6115.7 (2)H16A—C16—H16B108.9
C2—C1—C6101.94 (18)C18—C17—C19108.3 (2)
C7—C1—C6101.84 (18)C18—C17—C14113.2 (2)
O1—C2—C3129.0 (2)C19—C17—C14113.92 (19)
O1—C2—C1122.9 (2)C18—C17—C11113.93 (19)
C3—C2—C1108.0 (2)C19—C17—C11113.64 (19)
C30—C3—C2123.3 (2)C14—C17—C1193.45 (17)
C30—C3—C4131.5 (3)C17—C18—H18A109.5
C2—C3—C4105.2 (2)C17—C18—H18B109.5
C3—C4—C5105.83 (16)H18A—C18—H18B109.5
C3—C4—C7100.9 (2)C17—C18—H18C109.5
C5—C4—C7102.0 (2)H18A—C18—H18C109.5
C3—C4—H4A115.4H18B—C18—H18C109.5
C5—C4—H4A115.4C17—C19—H19A109.5
C7—C4—H4A115.4C17—C19—H19B109.5
C6—C5—C4102.64 (19)H19A—C19—H19B109.5
C6—C5—H5A111.2C17—C19—H19C109.5
C4—C5—H5A111.2H19A—C19—H19C109.5
C6—C5—H5B111.2H19B—C19—H19C109.5
C4—C5—H5B111.2C11—C20—H20A109.5
H5A—C5—H5B109.2C11—C20—H20B109.5
C5—C6—C1104.07 (18)H20A—C20—H20B109.5
C5—C6—H6A110.9C11—C20—H20C109.5
C1—C6—H6A110.9H20A—C20—H20C109.5
C5—C6—H6B110.9H20B—C20—H20C109.5
C1—C6—H6B110.9O3—C30—C3123.8 (2)
H6A—C6—H6B109.0O3—C30—C31114.1 (2)
C8—C7—C9108.37 (19)C3—C30—C31122.2 (2)
C8—C7—C4113.44 (18)C36—C31—C32119.5 (2)
C9—C7—C4114.31 (19)C36—C31—C30119.8 (2)
C8—C7—C1113.78 (19)C32—C31—C30120.6 (2)
C9—C7—C1112.88 (19)C33—C32—C31119.6 (2)
C4—C7—C193.64 (16)C33—C32—H32A120.2
C7—C8—H8A109.5C31—C32—H32A120.2
C7—C8—H8B109.5C34—C33—C32120.1 (3)
H8A—C8—H8B109.5C34—C33—H33A119.9
C7—C8—H8C109.5C32—C33—H33A119.9
H8A—C8—H8C109.5C33—C34—C35120.3 (3)
H8B—C8—H8C109.5C33—C34—H34A119.8
C7—C9—H9A109.5C35—C34—H34A119.8
C7—C9—H9B109.5C36—C35—C34119.6 (2)
H9A—C9—H9B109.5C36—C35—H35A120.2
C7—C9—H9C109.5C34—C35—H35A120.2
H9A—C9—H9C109.5C35—C36—C31120.8 (2)
H9B—C9—H9C109.5C35—C36—H36A119.6
C1—C10—H10A109.5C31—C36—H36A119.6
C1—C10—H10B109.5O4—C40—C13124.0 (2)
H10A—C10—H10B109.5O4—C40—C41114.3 (2)
C1—C10—H10C109.5C13—C40—C41121.7 (2)
H10A—C10—H10C109.5C42—C41—C46120.1 (2)
H10B—C10—H10C109.5C42—C41—C40121.5 (2)
C20—C11—C12115.01 (19)C46—C41—C40118.3 (2)
C20—C11—C17119.0 (2)C43—C42—C41119.6 (2)
C12—C11—C1799.76 (18)C43—C42—H42A120.2
C20—C11—C16115.72 (19)C41—C42—H42A120.2
C12—C11—C16103.51 (18)C42—C43—C44120.4 (3)
C17—C11—C16101.33 (17)C42—C43—H43A119.8
O2—C12—C13129.1 (2)C44—C43—H43A119.8
O2—C12—C11123.5 (2)C45—C44—C43120.0 (2)
C13—C12—C11107.3 (2)C45—C44—H44A120.0
C40—C13—C12122.2 (2)C43—C44—H44A120.0
C40—C13—C14131.6 (2)C44—C45—C46120.1 (2)
C12—C13—C14104.8 (2)C44—C45—H45A119.9
C13—C14—C15105.91 (18)C46—C45—H45A119.9
C13—C14—C17101.54 (19)C41—C46—C45119.7 (2)
C15—C14—C17102.3 (2)C41—C46—H46A120.2
C13—C14—H14A115.1C45—C46—H46A120.2
O3—Cu—O1—C212.87 (18)C40—C13—C14—C1593.0 (3)
O4—Cu—O1—C2172.62 (18)C12—C13—C14—C1573.7 (2)
O2—Cu—O1—C289.6 (7)C40—C13—C14—C17160.4 (3)
O3—Cu—O2—C12160.58 (19)C12—C13—C14—C1732.8 (2)
O4—Cu—O2—C1214.0 (2)C13—C14—C15—C1667.3 (2)
O1—Cu—O2—C1296.4 (7)C17—C14—C15—C1638.6 (2)
O4—Cu—O3—C30103.8 (10)C14—C15—C16—C113.6 (2)
O1—Cu—O3—C3018.4 (2)C20—C11—C16—C15162.4 (2)
O2—Cu—O3—C30154.3 (2)C12—C11—C16—C1570.8 (2)
O3—Cu—O4—C4083.1 (10)C17—C11—C16—C1532.3 (2)
O1—Cu—O4—C40168.9 (2)C13—C14—C17—C1865.8 (2)
O2—Cu—O4—C4018.5 (2)C15—C14—C17—C18175.11 (19)
Cu—O1—C2—C34.3 (3)C13—C14—C17—C19169.9 (2)
Cu—O1—C2—C1172.50 (16)C15—C14—C17—C1960.6 (2)
C10—C1—C2—O120.7 (3)C13—C14—C17—C1152.1 (2)
C7—C1—C2—O1149.7 (2)C15—C14—C17—C1157.22 (19)
C6—C1—C2—O1105.9 (2)C20—C11—C17—C1861.1 (3)
C10—C1—C2—C3161.9 (2)C12—C11—C17—C1864.8 (2)
C7—C1—C2—C332.9 (2)C16—C11—C17—C18170.8 (2)
C6—C1—C2—C371.5 (2)C20—C11—C17—C1963.7 (3)
O1—C2—C3—C305.0 (4)C12—C11—C17—C19170.48 (19)
C1—C2—C3—C30177.8 (2)C16—C11—C17—C1964.4 (2)
O1—C2—C3—C4176.0 (2)C20—C11—C17—C14178.3 (2)
C1—C2—C3—C41.2 (2)C12—C11—C17—C1452.47 (18)
C30—C3—C4—C5110.3 (3)C16—C11—C17—C1453.57 (19)
C2—C3—C4—C570.8 (3)Cu—O3—C30—C314.9 (3)
C30—C3—C4—C7143.7 (3)Cu—O3—C30—C31165.54 (16)
C2—C3—C4—C735.1 (2)C2—C3—C30—O30.7 (4)
C3—C4—C5—C666.8 (3)C4—C3—C30—O3178.0 (2)
C7—C4—C5—C638.3 (2)C2—C3—C30—C31179.7 (2)
C4—C5—C6—C13.5 (2)C4—C3—C30—C311.6 (4)
C10—C1—C6—C5162.30 (19)O3—C30—C31—C3642.0 (3)
C2—C1—C6—C570.9 (2)C3—C30—C31—C36137.6 (2)
C7—C1—C6—C532.1 (2)O3—C30—C31—C32134.3 (2)
C3—C4—C7—C865.6 (2)C3—C30—C31—C3246.1 (3)
C5—C4—C7—C8174.52 (17)C36—C31—C32—C330.2 (4)
C3—C4—C7—C9169.50 (19)C30—C31—C32—C33176.2 (2)
C5—C4—C7—C960.5 (2)C31—C32—C33—C340.8 (4)
C3—C4—C7—C152.35 (18)C32—C33—C34—C350.1 (4)
C5—C4—C7—C156.61 (18)C33—C34—C35—C361.1 (4)
C10—C1—C7—C860.5 (3)C34—C35—C36—C311.7 (4)
C2—C1—C7—C866.7 (2)C32—C31—C36—C351.1 (4)
C6—C1—C7—C8171.23 (19)C30—C31—C36—C35177.4 (2)
C10—C1—C7—C963.5 (3)Cu—O4—C40—C1310.8 (3)
C2—C1—C7—C9169.29 (19)Cu—O4—C40—C41171.20 (16)
C6—C1—C7—C964.7 (2)C12—C13—C40—O46.6 (4)
C10—C1—C7—C4178.1 (2)C14—C13—C40—O4171.4 (2)
C2—C1—C7—C450.95 (19)C12—C13—C40—C41171.2 (2)
C6—C1—C7—C453.61 (18)C14—C13—C40—C416.4 (4)
Cu—O2—C12—C132.7 (4)O4—C40—C41—C42130.6 (3)
Cu—O2—C12—C11179.71 (17)C13—C40—C41—C4251.4 (3)
C20—C11—C12—O218.0 (3)O4—C40—C41—C4646.2 (3)
C17—C11—C12—O2146.5 (2)C13—C40—C41—C46131.9 (3)
C16—C11—C12—O2109.2 (2)C46—C41—C42—C430.6 (4)
C20—C11—C12—C13164.5 (2)C40—C41—C42—C43177.3 (2)
C17—C11—C12—C1335.9 (2)C41—C42—C43—C440.6 (4)
C16—C11—C12—C1368.3 (2)C42—C43—C44—C450.6 (4)
O2—C12—C13—C4011.1 (4)C43—C44—C45—C460.6 (4)
C11—C12—C13—C40166.2 (2)C42—C41—C46—C451.8 (4)
O2—C12—C13—C14179.4 (2)C40—C41—C46—C45178.6 (2)
C11—C12—C13—C142.1 (2)C44—C45—C46—C411.8 (4)
 

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