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Reaction of potassium hydridotris(5-methyl-3-phenyl­pyrazoly)borate with copper(II) acetate in methanol at room temperature gives the title compound, [Cu(C30H28BN6)(C2H3O2)]. The Cu atom is five-coordinated by three N atoms from pyrazolyl groups and two O atoms from the acetate ligand.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806029187/bi2040sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806029187/bi2040Isup2.hkl
Contains datablock I

CCDC reference: 620663

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.044
  • wR factor = 0.125
  • Data-to-parameter ratio = 15.5

checkCIF/PLATON results

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Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.58 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.61 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.60 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - O1 .. 5.45 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - O2 .. 9.29 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - N6 .. 6.73 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - C32 .. 8.41 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O2 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C31
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 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 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Acetato[hydridotris(5-methyl-3-phenylpyrazoly)borato]copper(II) top
Crystal data top
[Cu(C30H28BN6)(C2H3O2)]Z = 2
Mr = 605.98F(000) = 630
Triclinic, P1Dx = 1.348 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.301 (18) ÅCell parameters from 10202 reflections
b = 12.035 (8) Åθ = 1.8–27.7°
c = 12.066 (15) ŵ = 0.77 mm1
α = 112.97 (9)°T = 293 K
β = 97.09 (7)°Prism, green
γ = 92.12 (10)°0.10 × 0.10 × 0.10 mm
V = 1493 (3) Å3
Data collection top
Bruker 1000 CCD
diffractometer
5986 independent reflections
Radiation source: fine-focus sealed tube3916 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.039
φ and ω scansθmax = 26.3°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1997)
h = 1414
Tmin = 0.924, Tmax = 0.927k = 1414
20842 measured reflectionsl = 1415
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.044Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.125H atoms treated by a mixture of independent and constrained refinement
S = 1.01 w = 1/[σ2(Fo2) + (0.0534P)2 + 0.9974P]
where P = (Fo2 + 2Fc2)/3
5986 reflections(Δ/σ)max < 0.001
387 parametersΔρmax = 0.74 e Å3
0 restraintsΔρmin = 0.29 e Å3
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
H10.167 (3)0.856 (2)0.131 (3)0.047 (8)*
B10.0669 (3)0.8463 (3)0.1560 (4)0.0481 (9)
Cu10.19466 (3)0.81570 (3)0.20931 (4)0.04725 (15)
N10.0926 (2)0.7181 (2)0.0539 (2)0.0440 (6)
N20.0267 (2)0.7349 (2)0.0549 (2)0.0434 (6)
C10.2249 (3)0.6403 (4)0.0724 (3)0.0636 (10)
H1A0.25930.64270.00280.095*
H1B0.25350.56600.14070.095*
H1C0.24740.70770.09150.095*
C20.0915 (3)0.6475 (3)0.0449 (3)0.0471 (8)
C30.0128 (3)0.5742 (3)0.1114 (3)0.0512 (8)
H30.03220.50690.18460.061*
C40.1008 (3)0.6202 (3)0.0481 (3)0.0429 (7)
C50.2168 (3)0.5781 (3)0.0844 (3)0.0459 (8)
C60.2212 (4)0.4598 (3)0.1655 (3)0.0647 (10)
H60.15130.40760.19540.078*
C70.3267 (4)0.4187 (4)0.2020 (4)0.0807 (13)
H70.32790.33880.25620.097*
C80.4299 (4)0.4932 (4)0.1602 (4)0.0845 (13)
H80.50180.46290.18240.101*
C90.4285 (4)0.6131 (4)0.0851 (4)0.0867 (14)
H90.49830.66530.06000.104*
C100.3216 (3)0.6553 (4)0.0474 (4)0.0700 (11)
H100.32020.73640.00340.084*
C110.1434 (3)1.0871 (3)0.1265 (4)0.0640 (10)
H11A0.18031.01890.05530.096*
H11B0.14291.15870.10960.096*
H11C0.18791.09790.19220.096*
N30.1324 (2)0.9656 (2)0.2006 (2)0.0445 (6)
N40.0115 (2)0.9603 (2)0.1693 (2)0.0453 (6)
C120.0178 (3)1.0650 (3)0.1614 (3)0.0484 (8)
C130.0859 (3)1.1384 (3)0.1885 (3)0.0510 (8)
H130.09301.21680.19150.061*
C140.1788 (3)1.0741 (3)0.2110 (3)0.0461 (8)
C150.3078 (3)1.1103 (3)0.2340 (3)0.0507 (8)
C160.3515 (4)1.2287 (3)0.3048 (4)0.0676 (10)
H160.29921.28440.34280.081*
C170.4712 (4)1.2660 (4)0.3202 (5)0.0899 (14)
H170.49851.34660.36760.108*
C180.5494 (4)1.1867 (5)0.2673 (5)0.0959 (15)
H180.63031.21240.27900.115*
C190.5090 (4)1.0688 (4)0.1967 (5)0.0910 (14)
H190.56251.01400.15980.109*
C200.3890 (3)1.0306 (4)0.1801 (4)0.0730 (11)
H200.36240.95000.13180.088*
C210.2137 (4)0.9430 (4)0.3716 (4)0.0841 (13)
H21A0.18411.02020.37490.126*
H21B0.25180.95480.44170.126*
H21C0.27070.90290.29910.126*
N50.0466 (2)0.8304 (2)0.2778 (2)0.0471 (6)
N60.0449 (2)0.7669 (2)0.3017 (2)0.0483 (6)
C220.1119 (3)0.8669 (3)0.3702 (3)0.0585 (9)
C230.0652 (3)0.8234 (3)0.4532 (3)0.0659 (10)
H230.09210.83360.52610.079*
C240.0309 (3)0.7604 (3)0.4074 (3)0.0538 (8)
C250.1049 (4)0.6876 (3)0.4573 (3)0.0588 (9)
C260.0790 (5)0.6724 (4)0.5613 (4)0.0854 (13)
H260.01770.71170.60120.103*
C270.1432 (6)0.6004 (5)0.6043 (5)0.1041 (17)
H270.12520.59220.67410.125*
C280.2324 (5)0.5402 (4)0.5485 (5)0.0987 (17)
H280.27480.49100.57910.118*
C290.2595 (4)0.5530 (4)0.4455 (4)0.0814 (13)
H290.32040.51210.40600.098*
C300.1961 (4)0.6268 (3)0.4011 (3)0.0658 (10)
H300.21540.63560.33210.079*
O10.3126 (2)0.8984 (2)0.3583 (2)0.0649 (7)
O20.3365 (2)0.7219 (2)0.2305 (3)0.0734 (7)
C310.4812 (4)0.8115 (5)0.4154 (5)0.1124 (18)
H31A0.54960.79950.37350.169*
H31B0.46860.74650.44110.169*
H31C0.49500.88710.48530.169*
C320.3749 (3)0.8139 (4)0.3333 (3)0.0620 (10)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
B10.038 (2)0.048 (2)0.058 (2)0.0102 (17)0.0133 (17)0.0190 (19)
Cu10.0437 (2)0.0472 (2)0.0493 (2)0.01354 (18)0.00652 (17)0.01688 (19)
N10.0420 (15)0.0423 (14)0.0479 (15)0.0103 (12)0.0120 (12)0.0158 (13)
N20.0386 (14)0.0430 (14)0.0471 (15)0.0048 (12)0.0075 (12)0.0158 (12)
C10.049 (2)0.075 (3)0.064 (2)0.0023 (18)0.0028 (17)0.027 (2)
C20.0453 (19)0.0508 (19)0.0489 (19)0.0000 (16)0.0047 (15)0.0248 (16)
C30.057 (2)0.0478 (19)0.0442 (19)0.0002 (17)0.0063 (16)0.0148 (16)
C40.0508 (19)0.0392 (17)0.0428 (17)0.0075 (15)0.0095 (15)0.0197 (15)
C50.054 (2)0.0443 (18)0.0434 (18)0.0123 (16)0.0110 (15)0.0194 (15)
C60.077 (3)0.044 (2)0.070 (2)0.0076 (19)0.025 (2)0.0156 (18)
C70.090 (3)0.052 (2)0.095 (3)0.024 (2)0.045 (3)0.015 (2)
C80.070 (3)0.084 (3)0.092 (3)0.039 (3)0.032 (2)0.020 (3)
C90.054 (2)0.094 (3)0.089 (3)0.011 (2)0.019 (2)0.009 (3)
C100.056 (2)0.064 (2)0.070 (3)0.012 (2)0.0107 (19)0.004 (2)
C110.057 (2)0.062 (2)0.076 (3)0.0251 (19)0.0129 (19)0.029 (2)
N30.0385 (14)0.0427 (15)0.0537 (16)0.0084 (12)0.0093 (12)0.0195 (13)
N40.0380 (14)0.0431 (14)0.0565 (16)0.0121 (12)0.0104 (12)0.0200 (13)
C120.052 (2)0.0445 (18)0.054 (2)0.0180 (16)0.0155 (16)0.0217 (16)
C130.057 (2)0.0412 (18)0.061 (2)0.0127 (17)0.0169 (17)0.0242 (16)
C140.052 (2)0.0368 (17)0.0499 (19)0.0066 (15)0.0137 (15)0.0154 (15)
C150.050 (2)0.0440 (19)0.062 (2)0.0035 (16)0.0076 (17)0.0255 (17)
C160.061 (2)0.050 (2)0.083 (3)0.0047 (19)0.002 (2)0.018 (2)
C170.075 (3)0.066 (3)0.113 (4)0.010 (2)0.009 (3)0.027 (3)
C180.055 (3)0.088 (3)0.140 (5)0.007 (3)0.007 (3)0.043 (3)
C190.052 (3)0.085 (3)0.126 (4)0.007 (2)0.025 (3)0.028 (3)
C200.057 (2)0.059 (2)0.094 (3)0.0039 (19)0.022 (2)0.018 (2)
C210.073 (3)0.087 (3)0.088 (3)0.028 (2)0.041 (2)0.019 (2)
N50.0437 (15)0.0423 (14)0.0532 (16)0.0059 (12)0.0180 (13)0.0135 (13)
N60.0498 (16)0.0489 (15)0.0463 (16)0.0055 (13)0.0127 (13)0.0174 (13)
C220.057 (2)0.053 (2)0.059 (2)0.0049 (17)0.0267 (18)0.0106 (18)
C230.077 (3)0.070 (2)0.047 (2)0.001 (2)0.026 (2)0.0153 (19)
C240.062 (2)0.0487 (19)0.0449 (19)0.0057 (17)0.0109 (17)0.0123 (16)
C250.077 (3)0.0464 (19)0.045 (2)0.0092 (19)0.0001 (18)0.0132 (16)
C260.119 (4)0.086 (3)0.054 (2)0.000 (3)0.008 (2)0.034 (2)
C270.155 (5)0.095 (4)0.067 (3)0.013 (4)0.005 (3)0.047 (3)
C280.134 (5)0.074 (3)0.087 (4)0.011 (3)0.033 (3)0.047 (3)
C290.099 (3)0.057 (2)0.083 (3)0.001 (2)0.011 (2)0.029 (2)
C300.085 (3)0.052 (2)0.056 (2)0.003 (2)0.002 (2)0.0218 (18)
O10.0575 (15)0.0682 (16)0.0594 (15)0.0198 (13)0.0041 (12)0.0153 (13)
O20.0780 (18)0.0728 (17)0.0715 (18)0.0317 (15)0.0175 (15)0.0268 (15)
C310.075 (3)0.152 (5)0.114 (4)0.033 (3)0.001 (3)0.059 (4)
C320.064 (2)0.074 (3)0.054 (2)0.015 (2)0.0149 (19)0.029 (2)
Geometric parameters (Å, º) top
B1—N51.545 (5)C14—C151.467 (5)
B1—N41.548 (5)C15—C161.378 (5)
B1—N21.549 (5)C15—C201.382 (5)
B1—H11.16 (3)C16—C171.375 (6)
Cu1—O11.978 (4)C16—H160.930
Cu1—O22.042 (4)C17—C181.352 (6)
Cu1—N11.968 (4)C17—H170.930
Cu1—N31.996 (3)C18—C191.364 (6)
Cu1—N62.314 (4)C18—H180.930
N1—C41.348 (4)C19—C201.380 (6)
N1—N21.371 (4)C19—H190.930
N2—C21.352 (4)C20—H200.930
C1—C21.495 (5)C21—C221.495 (5)
C1—H1A0.960C21—H21A0.960
C1—H1B0.960C21—H21B0.960
C1—H1C0.960C21—H21C0.960
C2—C31.376 (5)N5—C221.350 (4)
C3—C41.383 (5)N5—N61.376 (4)
C3—H30.930N6—C241.336 (4)
C4—C51.477 (5)C22—C231.363 (5)
C5—C61.385 (5)C23—C241.393 (5)
C5—C101.390 (5)C23—H230.930
C6—C71.366 (6)C24—C251.474 (5)
C6—H60.930C25—C301.378 (5)
C7—C81.357 (6)C25—C261.400 (5)
C7—H70.930C26—C271.360 (7)
C8—C91.374 (6)C26—H260.930
C8—H80.930C27—C281.356 (7)
C9—C101.387 (5)C27—H270.930
C9—H90.930C28—C291.379 (7)
C10—H100.930C28—H280.930
C11—C121.494 (5)C29—C301.383 (5)
C11—H11A0.960C29—H290.930
C11—H11B0.960C30—H300.930
C11—H11C0.960O1—C321.219 (4)
N3—C141.343 (4)O2—C321.309 (5)
N3—N41.363 (4)C31—C321.469 (6)
N4—C121.351 (4)C31—H31A0.960
C12—C131.365 (5)C31—H31B0.960
C13—C141.389 (5)C31—H31C0.960
C13—H130.930
N5—B1—N4108.8 (3)C14—C13—H13126.4
N5—B1—N2109.2 (3)N3—C14—C13108.6 (3)
N4—B1—N2108.2 (3)N3—C14—C15123.5 (3)
N5—B1—H1110.0 (14)C13—C14—C15127.8 (3)
N4—B1—H1110.6 (14)C16—C15—C20117.4 (4)
N2—B1—H1110.0 (14)C16—C15—C14120.4 (3)
N1—Cu1—O1172.58 (10)C20—C15—C14122.1 (3)
N1—Cu1—N389.56 (14)C17—C16—C15121.1 (4)
O1—Cu1—N396.48 (14)C17—C16—H16119.4
N1—Cu1—O2108.62 (14)C15—C16—H16119.4
O1—Cu1—O264.09 (14)C18—C17—C16120.7 (4)
N3—Cu1—O2149.51 (12)C18—C17—H17119.6
N1—Cu1—N686.19 (15)C16—C17—H17119.6
O1—Cu1—N697.22 (15)C17—C18—C19119.6 (4)
N3—Cu1—N697.71 (13)C17—C18—H18120.2
O2—Cu1—N6107.48 (14)C19—C18—H18120.2
C4—N1—N2107.0 (3)C18—C19—C20120.2 (4)
C4—N1—Cu1137.6 (2)C18—C19—H19119.9
N2—N1—Cu1113.8 (2)C20—C19—H19119.9
C2—N2—N1109.3 (3)C19—C20—C15121.0 (4)
C2—N2—B1130.3 (3)C19—C20—H20119.5
N1—N2—B1120.2 (3)C15—C20—H20119.5
C2—C1—H1A109.5C22—C21—H21A109.5
C2—C1—H1B109.5C22—C21—H21B109.5
H1A—C1—H1B109.5H21A—C21—H21B109.5
C2—C1—H1C109.5C22—C21—H21C109.5
H1A—C1—H1C109.5H21A—C21—H21C109.5
H1B—C1—H1C109.5H21B—C21—H21C109.5
N2—C2—C3107.8 (3)C22—N5—N6110.4 (3)
N2—C2—C1123.1 (3)C22—N5—B1128.9 (3)
C3—C2—C1129.1 (3)N6—N5—B1120.6 (2)
C2—C3—C4106.6 (3)C24—N6—N5105.6 (3)
C2—C3—H3126.7C24—N6—Cu1139.2 (2)
C4—C3—H3126.7N5—N6—Cu1102.5 (2)
N1—C4—C3109.3 (3)N5—C22—C23107.4 (3)
N1—C4—C5122.7 (3)N5—C22—C21122.1 (4)
C3—C4—C5127.9 (3)C23—C22—C21130.5 (3)
C6—C5—C10117.8 (3)C22—C23—C24106.4 (3)
C6—C5—C4119.5 (3)C22—C23—H23126.8
C10—C5—C4122.5 (3)C24—C23—H23126.8
C7—C6—C5120.9 (4)N6—C24—C23110.1 (3)
C7—C6—H6119.6N6—C24—C25121.8 (3)
C5—C6—H6119.6C23—C24—C25127.9 (3)
C8—C7—C6120.8 (4)C30—C25—C26117.6 (4)
C8—C7—H7119.6C30—C25—C24122.2 (3)
C6—C7—H7119.6C26—C25—C24120.1 (4)
C7—C8—C9120.3 (4)C27—C26—C25120.3 (5)
C7—C8—H8119.9C27—C26—H26119.8
C9—C8—H8119.9C25—C26—H26119.8
C8—C9—C10119.2 (4)C28—C27—C26121.9 (5)
C8—C9—H9120.4C28—C27—H27119.0
C10—C9—H9120.4C26—C27—H27119.0
C9—C10—C5120.9 (4)C27—C28—C29119.0 (5)
C9—C10—H10119.6C27—C28—H28120.5
C5—C10—H10119.6C29—C28—H28120.5
C12—C11—H11A109.5C28—C29—C30119.9 (5)
C12—C11—H11B109.5C28—C29—H29120.1
H11A—C11—H11B109.5C30—C29—H29120.1
C12—C11—H11C109.5C25—C30—C29121.2 (4)
H11A—C11—H11C109.5C25—C30—H30119.4
H11B—C11—H11C109.5C29—C30—H30119.4
C14—N3—N4107.1 (3)C32—O1—Cu193.2 (3)
C14—N3—Cu1136.9 (2)C32—O2—Cu187.7 (2)
N4—N3—Cu1115.9 (2)C32—C31—H31A109.5
C12—N4—N3109.8 (3)C32—C31—H31B109.5
C12—N4—B1131.5 (3)H31A—C31—H31B109.5
N3—N4—B1118.6 (3)C32—C31—H31C109.5
N4—C12—C13107.3 (3)H31A—C31—H31C109.5
N4—C12—C11123.0 (3)H31B—C31—H31C109.5
C13—C12—C11129.7 (3)O1—C32—O2115.1 (4)
C12—C13—C14107.2 (3)O1—C32—C31122.8 (4)
C12—C13—H13126.4O2—C32—C31122.0 (4)
N3—Cu1—N1—C4140.6 (3)C12—C13—C14—C15174.5 (3)
O2—Cu1—N1—C414.5 (3)N3—C14—C15—C16145.1 (3)
N6—Cu1—N1—C4121.6 (3)C13—C14—C15—C1639.4 (5)
N3—Cu1—N1—N256.5 (2)N3—C14—C15—C2039.3 (5)
O2—Cu1—N1—N2148.42 (19)C13—C14—C15—C20136.2 (4)
N6—Cu1—N1—N241.2 (2)C20—C15—C16—C170.4 (6)
C4—N1—N2—C20.6 (3)C14—C15—C16—C17175.4 (4)
Cu1—N1—N2—C2167.45 (19)C15—C16—C17—C180.8 (7)
C4—N1—N2—B1175.5 (3)C16—C17—C18—C190.8 (8)
Cu1—N1—N2—B116.4 (3)C17—C18—C19—C200.4 (8)
N5—B1—N2—C2113.8 (3)C18—C19—C20—C150.0 (8)
N4—B1—N2—C2127.9 (3)C16—C15—C20—C190.0 (6)
N5—B1—N2—N171.0 (3)C14—C15—C20—C19175.7 (4)
N4—B1—N2—N147.3 (4)N4—B1—N5—C2295.9 (4)
N1—N2—C2—C30.5 (3)N2—B1—N5—C22146.1 (3)
B1—N2—C2—C3175.1 (3)N4—B1—N5—N687.4 (3)
N1—N2—C2—C1179.2 (3)N2—B1—N5—N630.5 (4)
B1—N2—C2—C13.6 (5)C22—N5—N6—C242.8 (3)
N2—C2—C3—C40.2 (3)B1—N5—N6—C24174.4 (3)
C1—C2—C3—C4178.9 (3)C22—N5—N6—Cu1147.3 (2)
N2—N1—C4—C30.4 (3)B1—N5—N6—Cu135.5 (3)
Cu1—N1—C4—C3163.2 (2)N1—Cu1—N6—C24157.9 (3)
N2—N1—C4—C5176.3 (3)O1—Cu1—N6—C2415.5 (3)
Cu1—N1—C4—C520.0 (5)N3—Cu1—N6—C24113.1 (4)
C2—C3—C4—N10.1 (3)O2—Cu1—N6—C2449.6 (4)
C2—C3—C4—C5176.4 (3)N1—Cu1—N6—N569.3 (2)
N1—C4—C5—C6159.7 (3)O1—Cu1—N6—N5117.3 (2)
C3—C4—C5—C624.2 (5)N3—Cu1—N6—N519.70 (19)
N1—C4—C5—C1025.2 (5)O2—Cu1—N6—N5177.67 (17)
C3—C4—C5—C10150.9 (4)N6—N5—C22—C232.1 (4)
C10—C5—C6—C73.8 (6)B1—N5—C22—C23174.9 (3)
C4—C5—C6—C7179.1 (3)N6—N5—C22—C21177.0 (3)
C5—C6—C7—C80.3 (7)B1—N5—C22—C216.1 (5)
C6—C7—C8—C93.4 (8)N5—C22—C23—C240.5 (4)
C7—C8—C9—C103.5 (7)C21—C22—C23—C24178.5 (4)
C8—C9—C10—C50.0 (7)N5—N6—C24—C232.5 (4)
C6—C5—C10—C93.6 (6)Cu1—N6—C24—C23129.4 (3)
C4—C5—C10—C9178.8 (4)N5—N6—C24—C25173.5 (3)
N1—Cu1—N3—C14129.8 (3)Cu1—N6—C24—C2554.6 (5)
O1—Cu1—N3—C1445.9 (3)C22—C23—C24—N61.3 (4)
O2—Cu1—N3—C141.8 (4)C22—C23—C24—C25174.3 (3)
N6—Cu1—N3—C14144.1 (3)N6—C24—C25—C303.1 (5)
N1—Cu1—N3—N445.3 (2)C23—C24—C25—C30178.3 (4)
O1—Cu1—N3—N4139.0 (2)N6—C24—C25—C26173.0 (3)
O2—Cu1—N3—N4173.4 (2)C23—C24—C25—C262.2 (6)
N6—Cu1—N3—N440.8 (2)C30—C25—C26—C270.4 (6)
C14—N3—N4—C120.7 (3)C24—C25—C26—C27176.7 (4)
Cu1—N3—N4—C12177.2 (2)C25—C26—C27—C280.8 (8)
C14—N3—N4—B1177.6 (3)C26—C27—C28—C290.5 (8)
Cu1—N3—N4—B15.9 (3)C27—C28—C29—C300.2 (7)
N5—B1—N4—C12117.9 (4)C26—C25—C30—C290.3 (6)
N2—B1—N4—C12123.5 (3)C24—C25—C30—C29175.9 (3)
N5—B1—N4—N358.2 (3)C28—C29—C30—C250.6 (6)
N2—B1—N4—N360.4 (4)N3—Cu1—O1—C32155.9 (2)
N3—N4—C12—C130.2 (4)O2—Cu1—O1—C320.5 (2)
B1—N4—C12—C13176.1 (3)N6—Cu1—O1—C32105.4 (2)
N3—N4—C12—C11178.9 (3)N1—Cu1—O2—C32179.0 (2)
B1—N4—C12—C114.8 (5)O1—Cu1—O2—C320.5 (2)
N4—C12—C13—C141.0 (4)N3—Cu1—O2—C3255.2 (3)
C11—C12—C13—C14178.0 (3)N6—Cu1—O2—C3289.1 (2)
N4—N3—C14—C131.3 (3)Cu1—O1—C32—O20.8 (3)
Cu1—N3—C14—C13176.7 (2)Cu1—O1—C32—C31175.7 (4)
N4—N3—C14—C15174.9 (3)Cu1—O2—C32—O10.8 (3)
Cu1—N3—C14—C150.5 (5)Cu1—O2—C32—C31175.7 (4)
C12—C13—C14—N31.5 (4)
 

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