[5-(Pyridin-2-yl)-1H-tetra-zole-κ(2) N (4),N (5)]bis(triphenyl-phosphane-κP)copper(I) tetra-fluoridoborate.

In the title Cu(I) compound, [Cu(C6H5N5)(C18H15P)2]BF4, the Cu(I) cation is N,N'-chelated by a 5-(pyridin-2-yl)-1H-tetra-zole ligand and coordinated by two triphenyl-phosphane ligands in a distorted tetra-hedral geometry. The tetra-zole and pyridine rings are essentially coplanar [dihedral angle = 4.1 (3)°]. The tetra-fluoridoborate anion links to the complex cation via an N-H⋯F hydrogen bond.

Related literature

For applications of CuI complexes, see: Jia et al. (2005 ▶); Tsuboyama et al. (2007 ▶); Zhang et al. (2004 ▶). For the synthesis, see: Kuang et al. (2002 ▶); Demko & Sharpless (2001 ▶).

Experimental

Crystal data

[Cu(C6H5N5)(C18H15P)2]BF4

M = 822.05

Triclinic,

a = 9.6640 (19) Å

b = 13.052 (3) Å

c = 15.947 (3) Å

α = 88.66 (3)°

β = 84.80 (3)°

γ = 85.72 (3)°

V = 1997.3 (7) Å3

Z = 2

Mo Kα radiation

μ = 0.68 mm−1

T = 293 K

0.29 × 0.17 × 0.16 mm

Data collection

Bruker SMART 1000 CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.908, T max = 0.947

19069 measured reflections

8838 independent reflections

4984 reflections with I > 2σ(I)

R int = 0.036

Refinement

R[F 2 > 2σ(F 2)] = 0.050

wR(F 2) = 0.166

S = 1.14

8838 reflections

496 parameters

H-atom parameters constrained

Δρmax = 0.70 e Å−3

Δρmin = −1.12 e Å−3

Data collection: SMART (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Click here for additional data file.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812047605/xu5633sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812047605/xu5633Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cu(C6H5N5)(C18H15P)2]BF4	Z = 2
Mr = 822.05	F(000) = 844
Triclinic, P1	Dx = 1.367 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.6640 (19) Å	Cell parameters from 6566 reflections
b = 13.052 (3) Å	θ = 3.0–26.0°
c = 15.947 (3) Å	µ = 0.68 mm−1
α = 88.66 (3)°	T = 293 K
β = 84.80 (3)°	Block, light green
γ = 85.72 (3)°	0.29 × 0.17 × 0.16 mm
V = 1997.3 (7) Å3

Bruker SMART 1000 CCD area-detector diffractometer	8838 independent reflections
Radiation source: fine-focus sealed tube	4984 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.036
phi and ω scans	θmax = 27.4°, θmin = 3.0°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −12→12
Tmin = 0.908, Tmax = 0.947	k = −16→16
19069 measured reflections	l = −18→20

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.050	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.166	H-atom parameters constrained
S = 1.14	w = 1/[σ2(Fo2) + (0.0409P)2 + 3.0232P] where P = (Fo2 + 2Fc2)/3
8838 reflections	(Δ/σ)max = 0.001
496 parameters	Δρmax = 0.70 e Å−3
0 restraints	Δρmin = −1.12 e Å−3

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.

	x	y	z	Uiso*/Ueq
Cu	0.58602 (5)	0.22693 (4)	0.77067 (3)	0.04916 (17)
P1	0.57823 (11)	0.05451 (8)	0.77005 (7)	0.0470 (3)
P2	0.54981 (11)	0.33726 (8)	0.66269 (7)	0.0453 (3)
N1	0.5096 (4)	0.2971 (3)	0.8908 (2)	0.0528 (9)
N2	0.7728 (4)	0.2473 (3)	0.8243 (2)	0.0524 (9)
N3	0.9126 (4)	0.2261 (3)	0.8087 (3)	0.0661 (11)
N4	0.9758 (4)	0.2553 (4)	0.8710 (3)	0.0777 (13)
N5	0.8761 (5)	0.2956 (3)	0.9278 (3)	0.0731 (12)
H55	0.8905	0.3207	0.9754	0.088*
B1	1.0728 (9)	0.5802 (7)	0.8609 (5)	0.094 (3)
F1	1.1936 (6)	0.5302 (6)	0.8667 (4)	0.235 (4)
F2	0.9726 (7)	0.5127 (4)	0.8631 (3)	0.168 (2)
F3	1.0651 (6)	0.6349 (5)	0.7899 (3)	0.171 (2)
F4	1.0472 (6)	0.6438 (4)	0.9270 (3)	0.167 (2)
C1	0.6524 (5)	0.0373 (4)	0.9330 (3)	0.0623 (12)
H1	0.5935	0.0966	0.9411	0.075*
C2	0.6681 (4)	−0.0088 (3)	0.8555 (3)	0.0478 (10)
C3	0.7541 (5)	−0.0988 (4)	0.8461 (3)	0.0653 (13)
H3	0.7650	−0.1320	0.7947	0.078*
C4	0.8237 (6)	−0.1392 (5)	0.9129 (4)	0.0845 (18)
H4	0.8814	−0.1992	0.9060	0.101*
C5	0.8083 (6)	−0.0915 (5)	0.9885 (4)	0.0898 (19)
H5	0.8557	−0.1189	1.0331	0.108*
C6	0.7236 (6)	−0.0037 (5)	0.9990 (3)	0.0853 (17)
H6	0.7134	0.0288	1.0507	0.102*
C7	0.8132 (5)	0.0060 (4)	0.6619 (3)	0.0669 (13)
H7	0.8582	0.0419	0.6997	0.080*
C8	0.8880 (6)	−0.0373 (5)	0.5923 (4)	0.0832 (17)
H8	0.9837	−0.0320	0.5842	0.100*
C9	0.8223 (7)	−0.0880 (5)	0.5349 (4)	0.0889 (18)
H9	0.8734	−0.1177	0.4883	0.107*
C10	0.6813 (7)	−0.0948 (4)	0.5462 (4)	0.0823 (17)
H10	0.6363	−0.1272	0.5063	0.099*
C11	0.6053 (5)	−0.0540 (4)	0.6167 (3)	0.0614 (12)
H11	0.5098	−0.0601	0.6246	0.074*
C12	0.6713 (4)	−0.0038 (3)	0.6757 (3)	0.0507 (10)
C13	0.4103 (4)	0.0003 (4)	0.7760 (3)	0.0536 (11)
C14	0.3943 (5)	−0.1031 (4)	0.7932 (3)	0.0640 (13)
H14	0.4715	−0.1464	0.8045	0.077*
C15	0.2646 (6)	−0.1428 (5)	0.7937 (4)	0.0849 (18)
H15	0.2548	−0.2122	0.8052	0.102*
C16	0.1518 (6)	−0.0788 (7)	0.7772 (5)	0.105 (2)
H16	0.0648	−0.1049	0.7775	0.125*
C17	0.1653 (6)	0.0231 (6)	0.7603 (5)	0.106 (2)
H17	0.0876	0.0661	0.7493	0.128*
C18	0.2942 (5)	0.0625 (4)	0.7594 (4)	0.0750 (16)
H18	0.3026	0.1319	0.7475	0.090*
C19	0.6554 (4)	0.3099 (3)	0.5644 (3)	0.0454 (10)
C20	0.6671 (5)	0.2101 (4)	0.5339 (3)	0.0629 (12)
H20	0.6228	0.1588	0.5650	0.076*
C21	0.7436 (6)	0.1857 (4)	0.4581 (3)	0.0749 (15)
H21	0.7480	0.1191	0.4380	0.090*
C22	0.8129 (5)	0.2602 (5)	0.4129 (3)	0.0721 (14)
H22	0.8659	0.2437	0.3628	0.087*
C23	0.8038 (5)	0.3585 (4)	0.4416 (3)	0.0673 (13)
H23	0.8504	0.4089	0.4110	0.081*
C24	0.7246 (5)	0.3833 (4)	0.5170 (3)	0.0569 (11)
H24	0.7184	0.4506	0.5356	0.068*
C25	0.5866 (4)	0.4693 (3)	0.6838 (3)	0.0493 (10)
C26	0.7149 (5)	0.4857 (4)	0.7118 (3)	0.0629 (13)
H26	0.7758	0.4298	0.7238	0.076*
C27	0.7529 (6)	0.5842 (4)	0.7220 (3)	0.0759 (15)
H27	0.8396	0.5947	0.7400	0.091*
C28	0.6622 (7)	0.6666 (4)	0.7055 (4)	0.0820 (17)
H28	0.6879	0.7331	0.7117	0.098*
C29	0.5351 (6)	0.6514 (4)	0.6802 (4)	0.0786 (16)
H29	0.4735	0.7076	0.6701	0.094*
C30	0.4964 (5)	0.5533 (4)	0.6692 (3)	0.0622 (13)
H30	0.4090	0.5438	0.6519	0.075*
C31	0.3718 (4)	0.3494 (3)	0.6329 (3)	0.0456 (9)
C32	0.3376 (5)	0.3416 (3)	0.5508 (3)	0.0558 (11)
H32	0.4079	0.3320	0.5072	0.067*
C33	0.1983 (5)	0.3481 (4)	0.5333 (4)	0.0720 (15)
H33	0.1759	0.3415	0.4782	0.086*
C34	0.0941 (5)	0.3641 (4)	0.5973 (4)	0.0784 (16)
H34	0.0013	0.3671	0.5856	0.094*
C35	0.1268 (5)	0.3756 (5)	0.6780 (4)	0.0801 (16)
H35	0.0563	0.3895	0.7208	0.096*
C36	0.2637 (5)	0.3666 (4)	0.6959 (3)	0.0695 (14)
H36	0.2846	0.3722	0.7514	0.083*
C37	0.3794 (5)	0.3180 (4)	0.9229 (3)	0.0710 (14)
H37	0.3071	0.3033	0.8913	0.085*
C38	0.3466 (7)	0.3612 (5)	1.0023 (4)	0.0869 (18)
H38	0.2542	0.3763	1.0225	0.104*
C39	0.4517 (8)	0.3807 (5)	1.0494 (4)	0.0923 (19)
H39	0.4319	0.4080	1.1029	0.111*
C40	0.5873 (7)	0.3598 (4)	1.0173 (3)	0.0787 (16)
H40	0.6606	0.3735	1.0483	0.094*
C41	0.6128 (5)	0.3183 (3)	0.9383 (3)	0.0539 (11)
C42	0.7515 (5)	0.2904 (3)	0.8988 (3)	0.0533 (11)

	U11	U22	U33	U12	U13	U23
Cu	0.0538 (3)	0.0448 (3)	0.0488 (3)	0.0032 (2)	−0.0101 (2)	0.0002 (2)
P1	0.0445 (6)	0.0425 (6)	0.0540 (7)	0.0010 (4)	−0.0083 (5)	−0.0014 (5)
P2	0.0472 (6)	0.0423 (6)	0.0463 (6)	0.0039 (4)	−0.0101 (5)	0.0008 (5)
N1	0.058 (2)	0.052 (2)	0.047 (2)	0.0029 (17)	0.0012 (17)	0.0002 (17)
N2	0.052 (2)	0.051 (2)	0.052 (2)	0.0000 (16)	−0.0021 (17)	0.0046 (17)
N3	0.049 (2)	0.070 (3)	0.079 (3)	0.0067 (19)	−0.008 (2)	0.001 (2)
N4	0.057 (3)	0.085 (3)	0.094 (4)	0.002 (2)	−0.023 (3)	−0.006 (3)
N5	0.073 (3)	0.075 (3)	0.075 (3)	−0.002 (2)	−0.032 (2)	−0.009 (2)
B1	0.101 (6)	0.097 (6)	0.091 (6)	0.010 (5)	−0.057 (5)	−0.029 (5)
F1	0.174 (5)	0.282 (8)	0.247 (7)	0.130 (5)	−0.103 (5)	−0.132 (6)
F2	0.234 (6)	0.144 (4)	0.143 (4)	−0.071 (4)	−0.069 (4)	0.022 (3)
F3	0.189 (5)	0.211 (6)	0.134 (4)	−0.100 (4)	−0.066 (4)	0.044 (4)
F4	0.192 (5)	0.168 (4)	0.145 (4)	0.061 (4)	−0.079 (4)	−0.090 (4)
C1	0.069 (3)	0.062 (3)	0.054 (3)	−0.001 (2)	−0.001 (2)	0.006 (2)
C2	0.042 (2)	0.046 (2)	0.055 (3)	−0.0010 (18)	−0.0031 (18)	0.004 (2)
C3	0.068 (3)	0.056 (3)	0.070 (3)	0.010 (2)	−0.009 (3)	0.005 (2)
C4	0.077 (4)	0.081 (4)	0.090 (4)	0.022 (3)	−0.007 (3)	0.029 (3)
C5	0.085 (4)	0.116 (5)	0.067 (4)	0.007 (4)	−0.019 (3)	0.038 (4)
C6	0.104 (5)	0.099 (5)	0.052 (3)	0.004 (4)	−0.015 (3)	0.012 (3)
C7	0.052 (3)	0.082 (4)	0.066 (3)	−0.003 (2)	−0.003 (2)	−0.002 (3)
C8	0.064 (3)	0.095 (5)	0.084 (4)	0.008 (3)	0.019 (3)	−0.003 (3)
C9	0.108 (5)	0.070 (4)	0.082 (4)	−0.003 (3)	0.032 (4)	−0.013 (3)
C10	0.112 (5)	0.068 (4)	0.066 (4)	−0.023 (3)	0.011 (3)	−0.023 (3)
C11	0.065 (3)	0.056 (3)	0.063 (3)	−0.009 (2)	0.003 (2)	−0.010 (2)
C12	0.052 (2)	0.042 (2)	0.058 (3)	−0.0024 (18)	−0.006 (2)	0.005 (2)
C13	0.047 (2)	0.057 (3)	0.056 (3)	0.008 (2)	−0.005 (2)	−0.014 (2)
C14	0.054 (3)	0.065 (3)	0.073 (3)	−0.008 (2)	0.003 (2)	−0.010 (3)
C15	0.070 (4)	0.092 (4)	0.095 (4)	−0.035 (3)	0.011 (3)	−0.022 (3)
C16	0.050 (3)	0.145 (7)	0.121 (6)	−0.023 (4)	0.006 (3)	−0.055 (5)
C17	0.046 (3)	0.123 (6)	0.151 (7)	0.013 (3)	−0.022 (3)	−0.056 (5)
C18	0.052 (3)	0.069 (3)	0.107 (4)	0.006 (2)	−0.021 (3)	−0.024 (3)
C19	0.041 (2)	0.046 (2)	0.049 (2)	0.0042 (17)	−0.0122 (18)	0.0079 (19)
C20	0.074 (3)	0.047 (3)	0.065 (3)	0.007 (2)	−0.001 (2)	0.000 (2)
C21	0.096 (4)	0.060 (3)	0.064 (3)	0.014 (3)	0.001 (3)	−0.009 (3)
C22	0.070 (3)	0.084 (4)	0.059 (3)	0.015 (3)	0.000 (3)	−0.005 (3)
C23	0.063 (3)	0.077 (4)	0.060 (3)	−0.001 (3)	−0.003 (2)	0.007 (3)
C24	0.064 (3)	0.057 (3)	0.049 (3)	0.002 (2)	−0.005 (2)	−0.002 (2)
C25	0.052 (2)	0.050 (3)	0.047 (2)	0.0005 (19)	−0.0151 (19)	−0.0027 (19)
C26	0.060 (3)	0.062 (3)	0.070 (3)	−0.003 (2)	−0.023 (2)	0.005 (2)
C27	0.080 (4)	0.079 (4)	0.074 (4)	−0.022 (3)	−0.027 (3)	−0.002 (3)
C28	0.104 (5)	0.059 (3)	0.089 (4)	−0.014 (3)	−0.029 (3)	−0.020 (3)
C29	0.097 (4)	0.046 (3)	0.094 (4)	0.011 (3)	−0.026 (3)	−0.017 (3)
C30	0.065 (3)	0.052 (3)	0.071 (3)	0.007 (2)	−0.023 (2)	−0.011 (2)
C31	0.048 (2)	0.036 (2)	0.051 (2)	0.0021 (17)	−0.0053 (19)	0.0008 (18)
C32	0.060 (3)	0.056 (3)	0.052 (3)	0.001 (2)	−0.009 (2)	−0.010 (2)
C33	0.060 (3)	0.080 (4)	0.081 (4)	−0.001 (3)	−0.032 (3)	−0.017 (3)
C34	0.048 (3)	0.086 (4)	0.105 (5)	−0.009 (3)	−0.023 (3)	0.000 (3)
C35	0.048 (3)	0.102 (5)	0.087 (4)	0.002 (3)	0.001 (3)	0.015 (3)
C36	0.055 (3)	0.095 (4)	0.057 (3)	0.006 (3)	−0.005 (2)	0.008 (3)
C37	0.056 (3)	0.081 (4)	0.071 (3)	0.003 (3)	0.011 (2)	0.000 (3)
C38	0.087 (4)	0.080 (4)	0.085 (4)	0.011 (3)	0.027 (3)	0.002 (3)
C39	0.124 (6)	0.085 (5)	0.063 (4)	0.006 (4)	0.013 (4)	−0.014 (3)
C40	0.103 (4)	0.076 (4)	0.056 (3)	0.000 (3)	−0.004 (3)	−0.013 (3)
C41	0.071 (3)	0.044 (3)	0.046 (2)	0.002 (2)	−0.009 (2)	−0.0014 (19)
C42	0.059 (3)	0.045 (3)	0.057 (3)	0.000 (2)	−0.014 (2)	0.001 (2)

Cu—P1	2.2575 (13)	C15—H15	0.9300
Cu—P2	2.2538 (14)	C16—C17	1.364 (10)
Cu—N1	2.185 (4)	C16—H16	0.9300
Cu—N2	2.103 (4)	C17—C18	1.381 (8)
P1—C13	1.812 (5)	C17—H17	0.9300
P1—C2	1.831 (4)	C18—H18	0.9300
P1—C12	1.832 (5)	C19—C24	1.381 (6)
P2—C19	1.819 (4)	C19—C20	1.394 (6)
P2—C31	1.820 (4)	C20—C21	1.389 (7)
P2—C25	1.830 (4)	C20—H20	0.9300
N1—C37	1.326 (6)	C21—C22	1.375 (7)
N1—C41	1.355 (5)	C21—H21	0.9300
N2—C42	1.320 (5)	C22—C23	1.366 (7)
N2—N3	1.360 (5)	C22—H22	0.9300
N3—N4	1.292 (6)	C23—C24	1.396 (6)
N4—N5	1.346 (6)	C23—H23	0.9300
N5—C42	1.336 (6)	C24—H24	0.9300
N5—H55	0.8600	C25—C30	1.378 (6)
B1—F1	1.304 (8)	C25—C26	1.388 (6)
B1—F3	1.329 (9)	C26—C27	1.381 (7)
B1—F4	1.351 (8)	C26—H26	0.9300
B1—F2	1.355 (9)	C27—C28	1.371 (7)
C1—C2	1.378 (6)	C27—H27	0.9300
C1—C6	1.384 (7)	C28—C29	1.357 (7)
C1—H1	0.9300	C28—H28	0.9300
C2—C3	1.390 (6)	C29—C30	1.380 (7)
C3—C4	1.384 (7)	C29—H29	0.9300
C3—H3	0.9300	C30—H30	0.9300
C4—C5	1.361 (8)	C31—C32	1.387 (6)
C4—H4	0.9300	C31—C36	1.391 (6)
C5—C6	1.362 (8)	C32—C33	1.396 (6)
C5—H5	0.9300	C32—H32	0.9300
C6—H6	0.9300	C33—C34	1.375 (7)
C7—C8	1.377 (7)	C33—H33	0.9300
C7—C12	1.384 (6)	C34—C35	1.367 (8)
C7—H7	0.9300	C34—H34	0.9300
C8—C9	1.370 (8)	C35—C36	1.375 (7)
C8—H8	0.9300	C35—H35	0.9300
C9—C10	1.367 (8)	C36—H36	0.9300
C9—H9	0.9300	C37—C38	1.399 (8)
C10—C11	1.381 (7)	C37—H37	0.9300
C10—H10	0.9300	C38—C39	1.360 (9)
C11—C12	1.385 (6)	C38—H38	0.9300
C11—H11	0.9300	C39—C40	1.373 (8)
C13—C18	1.377 (6)	C39—H39	0.9300
C13—C14	1.388 (6)	C40—C41	1.378 (6)
C14—C15	1.391 (7)	C40—H40	0.9300
C14—H14	0.9300	C41—C42	1.452 (6)
C15—C16	1.364 (9)
N2—Cu—N1	78.18 (14)	C17—C16—H16	119.6
N2—Cu—P2	112.66 (11)	C15—C16—H16	119.6
N1—Cu—P2	110.72 (10)	C16—C17—C18	120.0 (6)
N2—Cu—P1	103.38 (11)	C16—C17—H17	120.0
N1—Cu—P1	114.14 (11)	C18—C17—H17	120.0
P2—Cu—P1	126.75 (5)	C13—C18—C17	120.9 (6)
C13—P1—C2	105.0 (2)	C13—C18—H18	119.5
C13—P1—C12	103.4 (2)	C17—C18—H18	119.5
C2—P1—C12	102.91 (19)	C24—C19—C20	117.5 (4)
C13—P1—Cu	119.03 (15)	C24—C19—P2	123.5 (3)
C2—P1—Cu	112.17 (15)	C20—C19—P2	119.0 (3)
C12—P1—Cu	112.77 (15)	C21—C20—C19	121.3 (5)
C19—P2—C31	104.20 (18)	C21—C20—H20	119.4
C19—P2—C25	102.9 (2)	C19—C20—H20	119.4
C31—P2—C25	103.88 (18)	C22—C21—C20	119.9 (5)
C19—P2—Cu	116.03 (13)	C22—C21—H21	120.1
C31—P2—Cu	114.80 (14)	C20—C21—H21	120.1
C25—P2—Cu	113.54 (14)	C23—C22—C21	120.0 (5)
C37—N1—C41	117.5 (4)	C23—C22—H22	120.0
C37—N1—Cu	129.1 (3)	C21—C22—H22	120.0
C41—N1—Cu	113.3 (3)	C22—C23—C24	120.1 (5)
C42—N2—N3	107.1 (4)	C22—C23—H23	120.0
C42—N2—Cu	112.5 (3)	C24—C23—H23	120.0
N3—N2—Cu	140.3 (3)	C19—C24—C23	121.3 (5)
N4—N3—N2	110.0 (4)	C19—C24—H24	119.3
N3—N4—N5	106.4 (4)	C23—C24—H24	119.3
C42—N5—N4	109.5 (4)	C30—C25—C26	118.5 (4)
C42—N5—H55	125.3	C30—C25—P2	123.3 (3)
N4—N5—H55	125.3	C26—C25—P2	118.1 (3)
F1—B1—F3	113.6 (9)	C27—C26—C25	120.6 (5)
F1—B1—F4	108.3 (5)	C27—C26—H26	119.7
F3—B1—F4	109.1 (7)	C25—C26—H26	119.7
F1—B1—F2	109.4 (8)	C28—C27—C26	119.7 (5)
F3—B1—F2	106.8 (5)	C28—C27—H27	120.2
F4—B1—F2	109.5 (8)	C26—C27—H27	120.2
C2—C1—C6	120.7 (5)	C29—C28—C27	120.2 (5)
C2—C1—H1	119.7	C29—C28—H28	119.9
C6—C1—H1	119.7	C27—C28—H28	119.9
C1—C2—C3	118.3 (4)	C28—C29—C30	120.5 (5)
C1—C2—P1	117.8 (3)	C28—C29—H29	119.7
C3—C2—P1	123.8 (4)	C30—C29—H29	119.7
C4—C3—C2	120.3 (5)	C25—C30—C29	120.4 (5)
C4—C3—H3	119.9	C25—C30—H30	119.8
C2—C3—H3	119.9	C29—C30—H30	119.8
C5—C4—C3	120.4 (5)	C32—C31—C36	118.0 (4)
C5—C4—H4	119.8	C32—C31—P2	123.6 (3)
C3—C4—H4	119.8	C36—C31—P2	118.4 (3)
C4—C5—C6	120.0 (5)	C31—C32—C33	120.3 (5)
C4—C5—H5	120.0	C31—C32—H32	119.9
C6—C5—H5	120.0	C33—C32—H32	119.9
C5—C6—C1	120.3 (6)	C34—C33—C32	120.1 (5)
C5—C6—H6	119.9	C34—C33—H33	120.0
C1—C6—H6	119.9	C32—C33—H33	120.0
C8—C7—C12	120.2 (5)	C35—C34—C33	120.1 (5)
C8—C7—H7	119.9	C35—C34—H34	119.9
C12—C7—H7	119.9	C33—C34—H34	119.9
C9—C8—C7	120.4 (5)	C34—C35—C36	120.0 (5)
C9—C8—H8	119.8	C34—C35—H35	120.0
C7—C8—H8	119.8	C36—C35—H35	120.0
C10—C9—C8	119.8 (5)	C35—C36—C31	121.4 (5)
C10—C9—H9	120.1	C35—C36—H36	119.3
C8—C9—H9	120.1	C31—C36—H36	119.3
C9—C10—C11	120.4 (5)	N1—C37—C38	122.5 (5)
C9—C10—H10	119.8	N1—C37—H37	118.7
C11—C10—H10	119.8	C38—C37—H37	118.7
C10—C11—C12	120.1 (5)	C39—C38—C37	119.1 (6)
C10—C11—H11	120.0	C39—C38—H38	120.5
C12—C11—H11	120.0	C37—C38—H38	120.5
C7—C12—C11	118.9 (4)	C38—C39—C40	119.3 (6)
C7—C12—P1	118.1 (4)	C38—C39—H39	120.3
C11—C12—P1	123.0 (3)	C40—C39—H39	120.3
C18—C13—C14	118.1 (4)	C39—C40—C41	118.8 (6)
C18—C13—P1	119.2 (4)	C39—C40—H40	120.6
C14—C13—P1	122.6 (3)	C41—C40—H40	120.6
C13—C14—C15	120.9 (5)	N1—C41—C40	122.7 (5)
C13—C14—H14	119.5	N1—C41—C42	113.5 (4)
C15—C14—H14	119.5	C40—C41—C42	123.8 (5)
C16—C15—C14	119.3 (6)	N2—C42—N5	107.1 (4)
C16—C15—H15	120.4	N2—C42—C41	122.5 (4)
C14—C15—H15	120.4	N5—C42—C41	130.3 (4)
C17—C16—C15	120.7 (6)

D—H···A	D—H	H···A	D···A	D—H···A
N5—H55···F4i	0.86	1.80	2.650 (7)	168

Table 1

Selected bond lengths (Å)

Cu—P1	2.2575 (13)
Cu—P2	2.2538 (14)
Cu—N1	2.185 (4)
Cu—N2	2.103 (4)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N5—H55⋯F4i	0.86	1.80	2.650 (7)	168

Symmetry code: (i) .