Acetato[hydridotris(5-methyl-3-phenylpyrazol-1-yl-κN²)borato]copper(II)

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.

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

No syntax errors found



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

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Computing details

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)

Crystal data

[Cu(C30H28BN6)(C2H3O2)]	Z = 2
Mr = 605.98	F(000) = 630
Triclinic, P1	Dx = 1.348 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 11.301 (18) Å	Cell parameters from 10202 reflections
b = 12.035 (8) Å	θ = 1.8–27.7°
c = 12.066 (15) Å	µ = 0.77 mm^−1
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) Å^3

Data collection

Bruker 1000 CCD diffractometer	5986 independent reflections
Radiation source: fine-focus sealed tube	3916 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.039
φ and ω scans	θmax = 26.3°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1997)	h = −14→14
Tmin = 0.924, Tmax = 0.927	k = −14→14
20842 measured reflections	l = −14→15

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.044	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.125	H atoms treated by a mixture of independent and constrained refinement
S = 1.01	w = 1/[σ^2(Fo^2) + (0.0534P)^2 + 0.9974P] where P = (Fo^2 + 2Fc^2)/3
5986 reflections	(Δ/σ)max < 0.001
387 parameters	Δρmax = 0.74 e Å^−3
0 restraints	Δρmin = −0.29 e Å^−3

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
H1	−0.167 (3)	0.856 (2)	0.131 (3)	0.047 (8)*
B1	−0.0669 (3)	0.8463 (3)	0.1560 (4)	0.0481 (9)
Cu1	0.19466 (3)	0.81570 (3)	0.20931 (4)	0.04725 (15)
N1	0.0926 (2)	0.7181 (2)	0.0539 (2)	0.0440 (6)
N2	−0.0267 (2)	0.7349 (2)	0.0549 (2)	0.0434 (6)
C1	−0.2249 (3)	0.6403 (4)	−0.0724 (3)	0.0636 (10)
H1A	−0.2593	0.6427	−0.0028	0.095*
H1B	−0.2535	0.5660	−0.1407	0.095*
H1C	−0.2474	0.7077	−0.0915	0.095*
C2	−0.0915 (3)	0.6475 (3)	−0.0449 (3)	0.0471 (8)
C3	−0.0128 (3)	0.5742 (3)	−0.1114 (3)	0.0512 (8)
H3	−0.0322	0.5069	−0.1846	0.061*
C4	0.1008 (3)	0.6202 (3)	−0.0481 (3)	0.0429 (7)
C5	0.2168 (3)	0.5781 (3)	−0.0844 (3)	0.0459 (8)
C6	0.2212 (4)	0.4598 (3)	−0.1655 (3)	0.0647 (10)
H6	0.1513	0.4076	−0.1954	0.078*
C7	0.3267 (4)	0.4187 (4)	−0.2020 (4)	0.0807 (13)
H7	0.3279	0.3388	−0.2562	0.097*
C8	0.4299 (4)	0.4932 (4)	−0.1602 (4)	0.0845 (13)
H8	0.5018	0.4629	−0.1824	0.101*
C9	0.4285 (4)	0.6131 (4)	−0.0851 (4)	0.0867 (14)
H9	0.4983	0.6653	−0.0600	0.104*
C10	0.3216 (3)	0.6553 (4)	−0.0474 (4)	0.0700 (11)
H10	0.3202	0.7364	0.0034	0.084*
C11	−0.1434 (3)	1.0871 (3)	0.1265 (4)	0.0640 (10)
H11A	−0.1803	1.0189	0.0553	0.096*
H11B	−0.1429	1.1587	0.1096	0.096*
H11C	−0.1879	1.0979	0.1922	0.096*
N3	0.1324 (2)	0.9656 (2)	0.2006 (2)	0.0445 (6)
N4	0.0115 (2)	0.9603 (2)	0.1693 (2)	0.0453 (6)
C12	−0.0178 (3)	1.0650 (3)	0.1614 (3)	0.0484 (8)
C13	0.0859 (3)	1.1384 (3)	0.1885 (3)	0.0510 (8)
H13	0.0930	1.2168	0.1915	0.061*
C14	0.1788 (3)	1.0741 (3)	0.2110 (3)	0.0461 (8)
C15	0.3078 (3)	1.1103 (3)	0.2340 (3)	0.0507 (8)
C16	0.3515 (4)	1.2287 (3)	0.3048 (4)	0.0676 (10)
H16	0.2992	1.2844	0.3428	0.081*
C17	0.4712 (4)	1.2660 (4)	0.3202 (5)	0.0899 (14)
H17	0.4985	1.3466	0.3676	0.108*
C18	0.5494 (4)	1.1867 (5)	0.2673 (5)	0.0959 (15)
H18	0.6303	1.2124	0.2790	0.115*
C19	0.5090 (4)	1.0688 (4)	0.1967 (5)	0.0910 (14)
H19	0.5625	1.0140	0.1598	0.109*
C20	0.3890 (3)	1.0306 (4)	0.1801 (4)	0.0730 (11)
H20	0.3624	0.9500	0.1318	0.088*
C21	−0.2137 (4)	0.9430 (4)	0.3716 (4)	0.0841 (13)
H21A	−0.1841	1.0202	0.3749	0.126*
H21B	−0.2518	0.9548	0.4417	0.126*
H21C	−0.2707	0.9029	0.2991	0.126*
N5	−0.0466 (2)	0.8304 (2)	0.2778 (2)	0.0471 (6)
N6	0.0449 (2)	0.7669 (2)	0.3017 (2)	0.0483 (6)
C22	−0.1119 (3)	0.8669 (3)	0.3702 (3)	0.0585 (9)
C23	−0.0652 (3)	0.8234 (3)	0.4532 (3)	0.0659 (10)
H23	−0.0921	0.8336	0.5261	0.079*
C24	0.0309 (3)	0.7604 (3)	0.4074 (3)	0.0538 (8)
C25	0.1049 (4)	0.6876 (3)	0.4573 (3)	0.0588 (9)
C26	0.0790 (5)	0.6724 (4)	0.5613 (4)	0.0854 (13)
H26	0.0177	0.7117	0.6012	0.103*
C27	0.1432 (6)	0.6004 (5)	0.6043 (5)	0.1041 (17)
H27	0.1252	0.5922	0.6741	0.125*
C28	0.2324 (5)	0.5402 (4)	0.5485 (5)	0.0987 (17)
H28	0.2748	0.4910	0.5791	0.118*
C29	0.2595 (4)	0.5530 (4)	0.4455 (4)	0.0814 (13)
H29	0.3204	0.5121	0.4060	0.098*
C30	0.1961 (4)	0.6268 (3)	0.4011 (3)	0.0658 (10)
H30	0.2154	0.6356	0.3321	0.079*
O1	0.3126 (2)	0.8984 (2)	0.3583 (2)	0.0649 (7)
O2	0.3365 (2)	0.7219 (2)	0.2305 (3)	0.0734 (7)
C31	0.4812 (4)	0.8115 (5)	0.4154 (5)	0.1124 (18)
H31A	0.5496	0.7995	0.3735	0.169*
H31B	0.4686	0.7465	0.4411	0.169*
H31C	0.4950	0.8871	0.4853	0.169*
C32	0.3749 (3)	0.8139 (4)	0.3333 (3)	0.0620 (10)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
B1	0.038 (2)	0.048 (2)	0.058 (2)	0.0102 (17)	0.0133 (17)	0.0190 (19)
Cu1	0.0437 (2)	0.0472 (2)	0.0493 (2)	0.01354 (18)	0.00652 (17)	0.01688 (19)
N1	0.0420 (15)	0.0423 (14)	0.0479 (15)	0.0103 (12)	0.0120 (12)	0.0158 (13)
N2	0.0386 (14)	0.0430 (14)	0.0471 (15)	0.0048 (12)	0.0075 (12)	0.0158 (12)
C1	0.049 (2)	0.075 (3)	0.064 (2)	−0.0023 (18)	0.0028 (17)	0.027 (2)
C2	0.0453 (19)	0.0508 (19)	0.0489 (19)	0.0000 (16)	0.0047 (15)	0.0248 (16)
C3	0.057 (2)	0.0478 (19)	0.0442 (19)	0.0002 (17)	0.0063 (16)	0.0148 (16)
C4	0.0508 (19)	0.0392 (17)	0.0428 (17)	0.0075 (15)	0.0095 (15)	0.0197 (15)
C5	0.054 (2)	0.0443 (18)	0.0434 (18)	0.0123 (16)	0.0110 (15)	0.0194 (15)
C6	0.077 (3)	0.044 (2)	0.070 (2)	0.0076 (19)	0.025 (2)	0.0156 (18)
C7	0.090 (3)	0.052 (2)	0.095 (3)	0.024 (2)	0.045 (3)	0.015 (2)
C8	0.070 (3)	0.084 (3)	0.092 (3)	0.039 (3)	0.032 (2)	0.020 (3)
C9	0.054 (2)	0.094 (3)	0.089 (3)	0.011 (2)	0.019 (2)	0.009 (3)
C10	0.056 (2)	0.064 (2)	0.070 (3)	0.012 (2)	0.0107 (19)	0.004 (2)
C11	0.057 (2)	0.062 (2)	0.076 (3)	0.0251 (19)	0.0129 (19)	0.029 (2)
N3	0.0385 (14)	0.0427 (15)	0.0537 (16)	0.0084 (12)	0.0093 (12)	0.0195 (13)
N4	0.0380 (14)	0.0431 (14)	0.0565 (16)	0.0121 (12)	0.0104 (12)	0.0200 (13)
C12	0.052 (2)	0.0445 (18)	0.054 (2)	0.0180 (16)	0.0155 (16)	0.0217 (16)
C13	0.057 (2)	0.0412 (18)	0.061 (2)	0.0127 (17)	0.0169 (17)	0.0242 (16)
C14	0.052 (2)	0.0368 (17)	0.0499 (19)	0.0066 (15)	0.0137 (15)	0.0154 (15)
C15	0.050 (2)	0.0440 (19)	0.062 (2)	0.0035 (16)	0.0076 (17)	0.0255 (17)
C16	0.061 (2)	0.050 (2)	0.083 (3)	0.0047 (19)	0.002 (2)	0.018 (2)
C17	0.075 (3)	0.066 (3)	0.113 (4)	−0.010 (2)	−0.009 (3)	0.027 (3)
C18	0.055 (3)	0.088 (3)	0.140 (5)	−0.007 (3)	0.007 (3)	0.043 (3)
C19	0.052 (3)	0.085 (3)	0.126 (4)	0.007 (2)	0.025 (3)	0.028 (3)
C20	0.057 (2)	0.059 (2)	0.094 (3)	0.0039 (19)	0.022 (2)	0.018 (2)
C21	0.073 (3)	0.087 (3)	0.088 (3)	0.028 (2)	0.041 (2)	0.019 (2)
N5	0.0437 (15)	0.0423 (14)	0.0532 (16)	0.0059 (12)	0.0180 (13)	0.0135 (13)
N6	0.0498 (16)	0.0489 (15)	0.0463 (16)	0.0055 (13)	0.0127 (13)	0.0174 (13)
C22	0.057 (2)	0.053 (2)	0.059 (2)	0.0049 (17)	0.0267 (18)	0.0106 (18)
C23	0.077 (3)	0.070 (2)	0.047 (2)	−0.001 (2)	0.026 (2)	0.0153 (19)
C24	0.062 (2)	0.0487 (19)	0.0449 (19)	−0.0057 (17)	0.0109 (17)	0.0123 (16)
C25	0.077 (3)	0.0464 (19)	0.045 (2)	−0.0092 (19)	−0.0001 (18)	0.0132 (16)
C26	0.119 (4)	0.086 (3)	0.054 (2)	0.000 (3)	0.008 (2)	0.034 (2)
C27	0.155 (5)	0.095 (4)	0.067 (3)	−0.013 (4)	−0.005 (3)	0.047 (3)
C28	0.134 (5)	0.074 (3)	0.087 (4)	−0.011 (3)	−0.033 (3)	0.047 (3)
C29	0.099 (3)	0.057 (2)	0.083 (3)	0.001 (2)	−0.011 (2)	0.029 (2)
C30	0.085 (3)	0.052 (2)	0.056 (2)	−0.003 (2)	−0.002 (2)	0.0218 (18)
O1	0.0575 (15)	0.0682 (16)	0.0594 (15)	0.0198 (13)	0.0041 (12)	0.0153 (13)
O2	0.0780 (18)	0.0728 (17)	0.0715 (18)	0.0317 (15)	0.0175 (15)	0.0268 (15)
C31	0.075 (3)	0.152 (5)	0.114 (4)	0.033 (3)	0.001 (3)	0.059 (4)
C32	0.064 (2)	0.074 (3)	0.054 (2)	0.015 (2)	0.0149 (19)	0.029 (2)

Geometric parameters (Å, º)

B1—N5	1.545 (5)	C14—C15	1.467 (5)
B1—N4	1.548 (5)	C15—C16	1.378 (5)
B1—N2	1.549 (5)	C15—C20	1.382 (5)
B1—H1	1.16 (3)	C16—C17	1.375 (6)
Cu1—O1	1.978 (4)	C16—H16	0.930
Cu1—O2	2.042 (4)	C17—C18	1.352 (6)
Cu1—N1	1.968 (4)	C17—H17	0.930
Cu1—N3	1.996 (3)	C18—C19	1.364 (6)
Cu1—N6	2.314 (4)	C18—H18	0.930
N1—C4	1.348 (4)	C19—C20	1.380 (6)
N1—N2	1.371 (4)	C19—H19	0.930
N2—C2	1.352 (4)	C20—H20	0.930
C1—C2	1.495 (5)	C21—C22	1.495 (5)
C1—H1A	0.960	C21—H21A	0.960
C1—H1B	0.960	C21—H21B	0.960
C1—H1C	0.960	C21—H21C	0.960
C2—C3	1.376 (5)	N5—C22	1.350 (4)
C3—C4	1.383 (5)	N5—N6	1.376 (4)
C3—H3	0.930	N6—C24	1.336 (4)
C4—C5	1.477 (5)	C22—C23	1.363 (5)
C5—C6	1.385 (5)	C23—C24	1.393 (5)
C5—C10	1.390 (5)	C23—H23	0.930
C6—C7	1.366 (6)	C24—C25	1.474 (5)
C6—H6	0.930	C25—C30	1.378 (5)
C7—C8	1.357 (6)	C25—C26	1.400 (5)
C7—H7	0.930	C26—C27	1.360 (7)
C8—C9	1.374 (6)	C26—H26	0.930
C8—H8	0.930	C27—C28	1.356 (7)
C9—C10	1.387 (5)	C27—H27	0.930
C9—H9	0.930	C28—C29	1.379 (7)
C10—H10	0.930	C28—H28	0.930
C11—C12	1.494 (5)	C29—C30	1.383 (5)
C11—H11A	0.960	C29—H29	0.930
C11—H11B	0.960	C30—H30	0.930
C11—H11C	0.960	O1—C32	1.219 (4)
N3—C14	1.343 (4)	O2—C32	1.309 (5)
N3—N4	1.363 (4)	C31—C32	1.469 (6)
N4—C12	1.351 (4)	C31—H31A	0.960
C12—C13	1.365 (5)	C31—H31B	0.960
C13—C14	1.389 (5)	C31—H31C	0.960
C13—H13	0.930
N5—B1—N4	108.8 (3)	C14—C13—H13	126.4
N5—B1—N2	109.2 (3)	N3—C14—C13	108.6 (3)
N4—B1—N2	108.2 (3)	N3—C14—C15	123.5 (3)
N5—B1—H1	110.0 (14)	C13—C14—C15	127.8 (3)
N4—B1—H1	110.6 (14)	C16—C15—C20	117.4 (4)
N2—B1—H1	110.0 (14)	C16—C15—C14	120.4 (3)
N1—Cu1—O1	172.58 (10)	C20—C15—C14	122.1 (3)
N1—Cu1—N3	89.56 (14)	C17—C16—C15	121.1 (4)
O1—Cu1—N3	96.48 (14)	C17—C16—H16	119.4
N1—Cu1—O2	108.62 (14)	C15—C16—H16	119.4
O1—Cu1—O2	64.09 (14)	C18—C17—C16	120.7 (4)
N3—Cu1—O2	149.51 (12)	C18—C17—H17	119.6
N1—Cu1—N6	86.19 (15)	C16—C17—H17	119.6
O1—Cu1—N6	97.22 (15)	C17—C18—C19	119.6 (4)
N3—Cu1—N6	97.71 (13)	C17—C18—H18	120.2
O2—Cu1—N6	107.48 (14)	C19—C18—H18	120.2
C4—N1—N2	107.0 (3)	C18—C19—C20	120.2 (4)
C4—N1—Cu1	137.6 (2)	C18—C19—H19	119.9
N2—N1—Cu1	113.8 (2)	C20—C19—H19	119.9
C2—N2—N1	109.3 (3)	C19—C20—C15	121.0 (4)
C2—N2—B1	130.3 (3)	C19—C20—H20	119.5
N1—N2—B1	120.2 (3)	C15—C20—H20	119.5
C2—C1—H1A	109.5	C22—C21—H21A	109.5
C2—C1—H1B	109.5	C22—C21—H21B	109.5
H1A—C1—H1B	109.5	H21A—C21—H21B	109.5
C2—C1—H1C	109.5	C22—C21—H21C	109.5
H1A—C1—H1C	109.5	H21A—C21—H21C	109.5
H1B—C1—H1C	109.5	H21B—C21—H21C	109.5
N2—C2—C3	107.8 (3)	C22—N5—N6	110.4 (3)
N2—C2—C1	123.1 (3)	C22—N5—B1	128.9 (3)
C3—C2—C1	129.1 (3)	N6—N5—B1	120.6 (2)
C2—C3—C4	106.6 (3)	C24—N6—N5	105.6 (3)
C2—C3—H3	126.7	C24—N6—Cu1	139.2 (2)
C4—C3—H3	126.7	N5—N6—Cu1	102.5 (2)
N1—C4—C3	109.3 (3)	N5—C22—C23	107.4 (3)
N1—C4—C5	122.7 (3)	N5—C22—C21	122.1 (4)
C3—C4—C5	127.9 (3)	C23—C22—C21	130.5 (3)
C6—C5—C10	117.8 (3)	C22—C23—C24	106.4 (3)
C6—C5—C4	119.5 (3)	C22—C23—H23	126.8
C10—C5—C4	122.5 (3)	C24—C23—H23	126.8
C7—C6—C5	120.9 (4)	N6—C24—C23	110.1 (3)
C7—C6—H6	119.6	N6—C24—C25	121.8 (3)
C5—C6—H6	119.6	C23—C24—C25	127.9 (3)
C8—C7—C6	120.8 (4)	C30—C25—C26	117.6 (4)
C8—C7—H7	119.6	C30—C25—C24	122.2 (3)
C6—C7—H7	119.6	C26—C25—C24	120.1 (4)
C7—C8—C9	120.3 (4)	C27—C26—C25	120.3 (5)
C7—C8—H8	119.9	C27—C26—H26	119.8
C9—C8—H8	119.9	C25—C26—H26	119.8
C8—C9—C10	119.2 (4)	C28—C27—C26	121.9 (5)
C8—C9—H9	120.4	C28—C27—H27	119.0
C10—C9—H9	120.4	C26—C27—H27	119.0
C9—C10—C5	120.9 (4)	C27—C28—C29	119.0 (5)
C9—C10—H10	119.6	C27—C28—H28	120.5
C5—C10—H10	119.6	C29—C28—H28	120.5
C12—C11—H11A	109.5	C28—C29—C30	119.9 (5)
C12—C11—H11B	109.5	C28—C29—H29	120.1
H11A—C11—H11B	109.5	C30—C29—H29	120.1
C12—C11—H11C	109.5	C25—C30—C29	121.2 (4)
H11A—C11—H11C	109.5	C25—C30—H30	119.4
H11B—C11—H11C	109.5	C29—C30—H30	119.4
C14—N3—N4	107.1 (3)	C32—O1—Cu1	93.2 (3)
C14—N3—Cu1	136.9 (2)	C32—O2—Cu1	87.7 (2)
N4—N3—Cu1	115.9 (2)	C32—C31—H31A	109.5
C12—N4—N3	109.8 (3)	C32—C31—H31B	109.5
C12—N4—B1	131.5 (3)	H31A—C31—H31B	109.5
N3—N4—B1	118.6 (3)	C32—C31—H31C	109.5
N4—C12—C13	107.3 (3)	H31A—C31—H31C	109.5
N4—C12—C11	123.0 (3)	H31B—C31—H31C	109.5
C13—C12—C11	129.7 (3)	O1—C32—O2	115.1 (4)
C12—C13—C14	107.2 (3)	O1—C32—C31	122.8 (4)
C12—C13—H13	126.4	O2—C32—C31	122.0 (4)
N3—Cu1—N1—C4	140.6 (3)	C12—C13—C14—C15	174.5 (3)
O2—Cu1—N1—C4	−14.5 (3)	N3—C14—C15—C16	−145.1 (3)
N6—Cu1—N1—C4	−121.6 (3)	C13—C14—C15—C16	39.4 (5)
N3—Cu1—N1—N2	−56.5 (2)	N3—C14—C15—C20	39.3 (5)
O2—Cu1—N1—N2	148.42 (19)	C13—C14—C15—C20	−136.2 (4)
N6—Cu1—N1—N2	41.2 (2)	C20—C15—C16—C17	0.4 (6)
C4—N1—N2—C2	0.6 (3)	C14—C15—C16—C17	−175.4 (4)
Cu1—N1—N2—C2	−167.45 (19)	C15—C16—C17—C18	−0.8 (7)
C4—N1—N2—B1	−175.5 (3)	C16—C17—C18—C19	0.8 (8)
Cu1—N1—N2—B1	16.4 (3)	C17—C18—C19—C20	−0.4 (8)
N5—B1—N2—C2	113.8 (3)	C18—C19—C20—C15	0.0 (8)
N4—B1—N2—C2	−127.9 (3)	C16—C15—C20—C19	0.0 (6)
N5—B1—N2—N1	−71.0 (3)	C14—C15—C20—C19	175.7 (4)
N4—B1—N2—N1	47.3 (4)	N4—B1—N5—C22	95.9 (4)
N1—N2—C2—C3	−0.5 (3)	N2—B1—N5—C22	−146.1 (3)
B1—N2—C2—C3	175.1 (3)	N4—B1—N5—N6	−87.4 (3)
N1—N2—C2—C1	−179.2 (3)	N2—B1—N5—N6	30.5 (4)
B1—N2—C2—C1	−3.6 (5)	C22—N5—N6—C24	2.8 (3)
N2—C2—C3—C4	0.2 (3)	B1—N5—N6—C24	−174.4 (3)
C1—C2—C3—C4	178.9 (3)	C22—N5—N6—Cu1	−147.3 (2)
N2—N1—C4—C3	−0.4 (3)	B1—N5—N6—Cu1	35.5 (3)
Cu1—N1—C4—C3	163.2 (2)	N1—Cu1—N6—C24	157.9 (3)
N2—N1—C4—C5	176.3 (3)	O1—Cu1—N6—C24	−15.5 (3)
Cu1—N1—C4—C5	−20.0 (5)	N3—Cu1—N6—C24	−113.1 (4)
C2—C3—C4—N1	0.1 (3)	O2—Cu1—N6—C24	49.6 (4)
C2—C3—C4—C5	−176.4 (3)	N1—Cu1—N6—N5	−69.3 (2)
N1—C4—C5—C6	159.7 (3)	O1—Cu1—N6—N5	117.3 (2)
C3—C4—C5—C6	−24.2 (5)	N3—Cu1—N6—N5	19.70 (19)
N1—C4—C5—C10	−25.2 (5)	O2—Cu1—N6—N5	−177.67 (17)
C3—C4—C5—C10	150.9 (4)	N6—N5—C22—C23	−2.1 (4)
C10—C5—C6—C7	3.8 (6)	B1—N5—C22—C23	174.9 (3)
C4—C5—C6—C7	179.1 (3)	N6—N5—C22—C21	177.0 (3)
C5—C6—C7—C8	−0.3 (7)	B1—N5—C22—C21	−6.1 (5)
C6—C7—C8—C9	−3.4 (8)	N5—C22—C23—C24	0.5 (4)
C7—C8—C9—C10	3.5 (7)	C21—C22—C23—C24	−178.5 (4)
C8—C9—C10—C5	0.0 (7)	N5—N6—C24—C23	−2.5 (4)
C6—C5—C10—C9	−3.6 (6)	Cu1—N6—C24—C23	129.4 (3)
C4—C5—C10—C9	−178.8 (4)	N5—N6—C24—C25	173.5 (3)
N1—Cu1—N3—C14	−129.8 (3)	Cu1—N6—C24—C25	−54.6 (5)
O1—Cu1—N3—C14	45.9 (3)	C22—C23—C24—N6	1.3 (4)
O2—Cu1—N3—C14	−1.8 (4)	C22—C23—C24—C25	−174.3 (3)
N6—Cu1—N3—C14	144.1 (3)	N6—C24—C25—C30	3.1 (5)
N1—Cu1—N3—N4	45.3 (2)	C23—C24—C25—C30	178.3 (4)
O1—Cu1—N3—N4	−139.0 (2)	N6—C24—C25—C26	−173.0 (3)
O2—Cu1—N3—N4	173.4 (2)	C23—C24—C25—C26	2.2 (6)
N6—Cu1—N3—N4	−40.8 (2)	C30—C25—C26—C27	0.4 (6)
C14—N3—N4—C12	−0.7 (3)	C24—C25—C26—C27	176.7 (4)
Cu1—N3—N4—C12	−177.2 (2)	C25—C26—C27—C28	−0.8 (8)
C14—N3—N4—B1	−177.6 (3)	C26—C27—C28—C29	0.5 (8)
Cu1—N3—N4—B1	5.9 (3)	C27—C28—C29—C30	0.2 (7)
N5—B1—N4—C12	−117.9 (4)	C26—C25—C30—C29	0.3 (6)
N2—B1—N4—C12	123.5 (3)	C24—C25—C30—C29	−175.9 (3)
N5—B1—N4—N3	58.2 (3)	C28—C29—C30—C25	−0.6 (6)
N2—B1—N4—N3	−60.4 (4)	N3—Cu1—O1—C32	−155.9 (2)
N3—N4—C12—C13	−0.2 (4)	O2—Cu1—O1—C32	−0.5 (2)
B1—N4—C12—C13	176.1 (3)	N6—Cu1—O1—C32	105.4 (2)
N3—N4—C12—C11	178.9 (3)	N1—Cu1—O2—C32	179.0 (2)
B1—N4—C12—C11	−4.8 (5)	O1—Cu1—O2—C32	0.5 (2)
N4—C12—C13—C14	1.0 (4)	N3—Cu1—O2—C32	55.2 (3)
C11—C12—C13—C14	−178.0 (3)	N6—Cu1—O2—C32	−89.1 (2)
N4—N3—C14—C13	1.3 (3)	Cu1—O1—C32—O2	0.8 (3)
Cu1—N3—C14—C13	176.7 (2)	Cu1—O1—C32—C31	−175.7 (4)
N4—N3—C14—C15	−174.9 (3)	Cu1—O2—C32—O1	−0.8 (3)
Cu1—N3—C14—C15	0.5 (5)	Cu1—O2—C32—C31	175.7 (4)
C12—C13—C14—N3	−1.5 (4)