catena-Poly­[[[μ-di-4-pyridyl­diazene-κ²N⁴:N^4′-bis­[(tri­phenyl­phosphine-κP)copper(I)]]-μ-pyridine-2-carb­aldehyde azine-κN²,N:N′,N^2′] bis­(tetra­fluoro­borate)]

The title polymeric copper(I) complex, {[Cu₂(4,4′-azpy)(μ-paa)(C₁₈H₁₅P)₂](BF₄)₂}_∞, [4,4′-azpy = di-4-pyridyl­diazene (C₁₀H₈N₄) and paa = pyridine-2-carb­aldehyde azine (C₁₂H₁₀N₄)] has been prepared and the crystal structure determined. The copper(I) centres adopt a distorted tetrahedral coordination geometry and are linked through binucleating azpy and paa ligands.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.011 Å
• Disorder in solvent or counterion
• R factor = 0.067
• wR factor = 0.210
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.12 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    N     Ueq(max)/Ueq(min) ...       2.98 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.07 Ratio
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         C8
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C26
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         C9
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors  for         F1
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors  for         F2
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors  for         F3
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for         B1
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for        B1'
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.04
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      29.00 Perc.
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C18    -C23           1.37 Ang.
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C24    -C29           1.37 Ang.
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         11
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      84.00 A   3  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        107
            F4  -B1  -B1' -F4'  -180.00100.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        111
            F4  -B1  -B1' -F1    123.00 33.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        114
            F4  -B1  -B1' -F2   -120.00 33.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        116
            F4  -B1  -B1' -F3     -1.00 33.00   1.555   1.555   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      34.60 Deg.
              B1'  -F1   -B1      1.555   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      34.60 Deg.
              B1'  -F2   -B1      1.555   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      35.00 Deg.
              B1   -F3   -B1'     1.555   1.555   1.555

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  27 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  12 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
  10 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

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

catena-poly[[[µ-di-4-pyridyldiazene-κ²N⁴:N^4'-bis[(triphenylphosphine- κP)copper(I)]]-µ-pyridine-2-carbaldehyde azine-κN²,N:N',N^2'] bis(tetrafluoroborate)]

Crystal data

[Cu2(C10H8N4)(C12H10N4)(C18H15P)2](BF4)2	Z = 1
Mr = 1219.68	F(000) = 622
Triclinic, P1	Dx = 1.394 Mg m^−3 Dm = 1.394 Mg m^−3 Dm measured by not measured
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.262 (9) Å	Cell parameters from 867 reflections
b = 10.767 (10) Å	θ = 2.3–22.5°
c = 13.437 (12) Å	µ = 0.86 mm^−1
α = 81.790 (14)°	T = 293 K
β = 82.515 (13)°	Block, red
γ = 84.724 (14)°	0.20 × 0.18 × 0.14 mm
V = 1453 (2) Å^3

Data collection

Bruker SMART CCD area-detector diffractometer	5090 independent reflections
Radiation source: fine-focus sealed tube	3586 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.044
φ and ω scans	θmax = 25.0°, θmin = 1.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −11→12
Tmin = 0.794, Tmax = 0.887	k = −12→8
7407 measured reflections	l = −15→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)] = 0.067	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.210	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.1258P)^2] where P = (Fo^2 + 2Fc^2)/3
5090 reflections	(Δ/σ)max = 0.001
379 parameters	Δρmax = 1.01 e Å^−3
14 restraints	Δρmin = −0.56 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	Occ. (<1)
Cu1	0.52818 (6)	0.84918 (6)	0.35599 (4)	0.0355 (2)
P1	0.34596 (12)	0.86817 (13)	0.28383 (10)	0.0347 (3)
N1	0.5962 (4)	0.7037 (4)	0.4583 (3)	0.0345 (10)
N2	0.5228 (4)	0.9394 (4)	0.4880 (3)	0.0312 (9)
N4	0.9918 (6)	0.9498 (6)	0.0104 (7)	0.092 (3)
C1	0.6461 (6)	0.5883 (5)	0.4411 (4)	0.0468 (14)
H1	0.6417	0.5640	0.3780	0.056*
C2	0.7030 (7)	0.5048 (6)	0.5121 (5)	0.0593 (17)
H2	0.7371	0.4256	0.4974	0.071*
C3	0.7089 (7)	0.5393 (6)	0.6042 (5)	0.0610 (18)
H3	0.7497	0.4848	0.6529	0.073*
C4	0.6545 (6)	0.6548 (6)	0.6253 (4)	0.0509 (15)
H4	0.6529	0.6781	0.6896	0.061*
C5	0.6024 (5)	0.7355 (5)	0.5497 (4)	0.0353 (12)
C6	0.5526 (5)	0.8632 (5)	0.5635 (4)	0.0361 (12)
H6	0.5428	0.8888	0.6275	0.043*
N3	0.6931 (4)	0.8856 (5)	0.2560 (3)	0.0444 (11)
C7	0.7425 (7)	0.8004 (8)	0.1951 (6)	0.073 (2)
H7	0.7073	0.7223	0.2056	0.087*
C8	0.8406 (8)	0.8220 (10)	0.1192 (6)	0.088 (3)
H8	0.8743	0.7597	0.0796	0.106*
C9	0.8900 (6)	0.9397 (9)	0.1020 (5)	0.068 (2)
C10	0.8442 (6)	1.0267 (7)	0.1655 (7)	0.077 (3)
H10	0.8782	1.1052	0.1564	0.093*
C11	0.7463 (6)	0.9955 (7)	0.2433 (5)	0.0606 (18)
H11	0.7168	1.0531	0.2882	0.073*
C12	0.3469 (5)	0.7705 (5)	0.1854 (4)	0.0400 (12)
C13	0.4198 (6)	0.6564 (6)	0.1925 (5)	0.0489 (14)
H13	0.4723	0.6341	0.2446	0.059*
C14	0.4151 (7)	0.5748 (7)	0.1226 (5)	0.0632 (18)
H14	0.4642	0.4976	0.1279	0.076*
C15	0.3386 (8)	0.6076 (8)	0.0457 (6)	0.072 (2)
H15	0.3345	0.5522	−0.0007	0.087*
C16	0.2686 (8)	0.7205 (8)	0.0370 (6)	0.076 (2)
H16	0.2176	0.7425	−0.0161	0.091*
C17	0.2719 (7)	0.8029 (7)	0.1051 (5)	0.0661 (19)
H17	0.2240	0.8806	0.0977	0.079*
C18	0.3062 (6)	1.0246 (5)	0.2207 (4)	0.0440 (13)
C19	0.3999 (7)	1.0803 (7)	0.1504 (5)	0.065 (2)
H19	0.4822	1.0382	0.1367	0.078*
C20	0.3723 (9)	1.1979 (8)	0.1003 (7)	0.087 (3)
H20	0.4358	1.2345	0.0520	0.104*
C21	0.2544 (9)	1.2613 (8)	0.1201 (7)	0.083 (2)
H21	0.2372	1.3410	0.0853	0.099*
C22	0.1617 (9)	1.2101 (7)	0.1897 (7)	0.081 (2)
H22	0.0814	1.2552	0.2043	0.097*
C23	0.1854 (6)	1.0915 (6)	0.2393 (5)	0.0579 (16)
H23	0.1198	1.0554	0.2859	0.069*
C24	0.1974 (5)	0.8317 (5)	0.3684 (5)	0.0440 (13)
C25	0.0917 (7)	0.7803 (9)	0.3394 (6)	0.078 (2)
H25	0.0939	0.7625	0.2735	0.094*
C26	−0.0171 (8)	0.7558 (11)	0.4094 (9)	0.110 (4)
H26	−0.0887	0.7220	0.3901	0.132*
C27	−0.0204 (9)	0.7804 (11)	0.5052 (8)	0.105 (4)
H27	−0.0940	0.7633	0.5517	0.126*
C28	0.0824 (7)	0.8297 (10)	0.5339 (7)	0.092 (3)
H28	0.0793	0.8470	0.6001	0.110*
C29	0.1904 (6)	0.8541 (7)	0.4669 (5)	0.0611 (18)
H29	0.2613	0.8869	0.4882	0.073*
B1	0.7067 (9)	0.3446 (9)	0.2446 (7)	0.092 (5)	0.80
F1	0.8292 (7)	0.3068 (7)	0.1996 (7)	0.164 (3)
F2	0.6846 (8)	0.4721 (6)	0.2185 (6)	0.153 (3)
F3	0.6850 (9)	0.3123 (10)	0.3450 (6)	0.182 (3)
F4	0.6137 (9)	0.2856 (9)	0.2089 (7)	0.151 (3)	0.80
B1'	0.7613 (15)	0.3787 (12)	0.2680 (10)	0.11 (2)	0.20
F4'	0.860 (2)	0.445 (2)	0.2880 (18)	0.108 (9)	0.20

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0321 (4)	0.0412 (4)	0.0307 (4)	0.0005 (3)	0.0021 (2)	−0.0039 (3)
P1	0.0310 (7)	0.0356 (8)	0.0351 (7)	0.0006 (6)	−0.0010 (5)	−0.0014 (6)
N1	0.038 (2)	0.029 (2)	0.033 (2)	0.0015 (18)	0.0027 (17)	−0.0041 (18)
N2	0.032 (2)	0.026 (2)	0.034 (2)	−0.0019 (17)	0.0025 (17)	−0.0077 (17)
N4	0.043 (3)	0.081 (5)	0.137 (7)	0.007 (4)	0.005 (4)	0.018 (5)
C1	0.059 (3)	0.030 (3)	0.048 (3)	0.006 (3)	0.004 (3)	−0.011 (2)
C2	0.065 (4)	0.035 (3)	0.071 (4)	0.010 (3)	0.003 (3)	−0.003 (3)
C3	0.078 (4)	0.042 (4)	0.057 (4)	0.008 (3)	−0.010 (3)	0.010 (3)
C4	0.069 (4)	0.045 (4)	0.036 (3)	0.003 (3)	−0.007 (3)	0.002 (3)
C5	0.039 (3)	0.029 (3)	0.035 (3)	−0.005 (2)	0.003 (2)	−0.001 (2)
C6	0.039 (3)	0.035 (3)	0.032 (3)	0.002 (2)	0.000 (2)	−0.007 (2)
N3	0.036 (2)	0.057 (3)	0.037 (2)	−0.004 (2)	0.0071 (19)	−0.008 (2)
C7	0.057 (4)	0.084 (5)	0.078 (5)	−0.027 (4)	0.030 (4)	−0.033 (4)
C8	0.067 (5)	0.124 (8)	0.075 (5)	−0.028 (5)	0.034 (4)	−0.042 (5)
C9	0.036 (3)	0.108 (6)	0.044 (4)	0.008 (4)	0.013 (3)	0.020 (4)
C10	0.044 (4)	0.061 (5)	0.107 (6)	−0.004 (3)	0.023 (4)	0.029 (4)
C11	0.048 (3)	0.051 (4)	0.074 (4)	−0.003 (3)	0.020 (3)	−0.006 (3)
C12	0.042 (3)	0.043 (3)	0.036 (3)	−0.001 (2)	−0.007 (2)	−0.003 (2)
C13	0.057 (3)	0.042 (3)	0.048 (3)	−0.001 (3)	−0.010 (3)	−0.004 (3)
C14	0.079 (5)	0.046 (4)	0.066 (4)	−0.002 (3)	−0.011 (4)	−0.013 (3)
C15	0.094 (5)	0.068 (5)	0.060 (4)	−0.006 (4)	−0.004 (4)	−0.025 (4)
C16	0.094 (5)	0.081 (6)	0.060 (4)	0.005 (5)	−0.034 (4)	−0.024 (4)
C17	0.082 (5)	0.062 (4)	0.055 (4)	0.022 (4)	−0.024 (3)	−0.016 (3)
C18	0.049 (3)	0.038 (3)	0.045 (3)	0.000 (3)	−0.009 (2)	−0.001 (2)
C19	0.054 (4)	0.065 (5)	0.066 (4)	−0.007 (3)	0.000 (3)	0.020 (4)
C20	0.095 (6)	0.076 (6)	0.081 (6)	−0.027 (5)	−0.016 (5)	0.034 (5)
C21	0.095 (6)	0.057 (5)	0.095 (6)	−0.009 (5)	−0.041 (5)	0.020 (4)
C22	0.089 (5)	0.044 (4)	0.107 (7)	0.018 (4)	−0.027 (5)	0.001 (4)
C23	0.053 (3)	0.050 (4)	0.068 (4)	0.007 (3)	−0.007 (3)	−0.004 (3)
C24	0.034 (3)	0.036 (3)	0.057 (4)	0.000 (2)	−0.002 (2)	0.004 (3)
C25	0.053 (4)	0.114 (7)	0.068 (5)	−0.029 (4)	−0.011 (3)	0.007 (4)
C26	0.049 (4)	0.150 (10)	0.130 (9)	−0.046 (6)	−0.001 (5)	−0.001 (8)
C27	0.060 (5)	0.141 (10)	0.098 (7)	−0.017 (5)	0.023 (5)	0.016 (7)
C28	0.051 (4)	0.140 (9)	0.072 (5)	0.000 (5)	0.017 (4)	−0.002 (5)
C29	0.049 (3)	0.080 (5)	0.050 (4)	−0.008 (3)	0.014 (3)	−0.010 (3)
B1	0.122 (11)	0.101 (10)	0.065 (7)	0.041 (9)	−0.054 (8)	−0.043 (7)
F1	0.127 (5)	0.145 (6)	0.239 (9)	0.054 (4)	−0.035 (5)	−0.116 (6)
F2	0.176 (7)	0.116 (5)	0.175 (7)	0.068 (5)	−0.065 (6)	−0.058 (5)
F3	0.195 (8)	0.223 (10)	0.137 (7)	−0.020 (7)	−0.049 (6)	−0.022 (6)
F4	0.165 (8)	0.153 (8)	0.150 (8)	0.001 (6)	−0.044 (7)	−0.060 (6)
B1'	0.11 (2)	0.11 (2)	0.11 (2)	−0.001 (10)	−0.014 (10)	−0.019 (10)
F4'	0.13 (2)	0.12 (2)	0.072 (15)	0.045 (18)	−0.028 (14)	−0.045 (14)

Geometric parameters (Å, º)

Cu1—N3	2.050 (4)	C14—H14	0.9300
Cu1—N1	2.066 (4)	C15—C16	1.352 (11)
Cu1—N2	2.133 (4)	C15—H15	0.9300
Cu1—P1	2.196 (2)	C16—C17	1.367 (10)
P1—C12	1.802 (6)	C16—H16	0.9300
P1—C18	1.811 (6)	C17—H17	0.9300
P1—C24	1.817 (5)	C18—C19	1.373 (8)
N1—C5	1.331 (7)	C18—C23	1.388 (8)
N1—C1	1.339 (7)	C19—C20	1.369 (10)
N2—C6	1.262 (7)	C19—H19	0.9300
N2—N2^i	1.413 (8)	C20—C21	1.348 (12)
N4—N4^ii	1.099 (13)	C20—H20	0.9300
N4—C9	1.505 (9)	C21—C22	1.342 (12)
C1—C2	1.365 (9)	C21—H21	0.9300
C1—H1	0.9300	C22—C23	1.370 (10)
C2—C3	1.352 (10)	C22—H22	0.9300
C2—H2	0.9300	C23—H23	0.9300
C3—C4	1.368 (9)	C24—C29	1.371 (9)
C3—H3	0.9300	C24—C25	1.384 (9)
C4—C5	1.370 (8)	C25—C26	1.382 (11)
C4—H4	0.9300	C25—H25	0.9300
C5—C6	1.452 (7)	C26—C27	1.347 (15)
C6—H6	0.9300	C26—H26	0.9300
N3—C11	1.328 (8)	C27—C28	1.346 (14)
N3—C7	1.338 (9)	C27—H27	0.9300
C7—C8	1.347 (9)	C28—C29	1.354 (9)
C7—H7	0.9300	C28—H28	0.9300
C8—C9	1.386 (12)	C29—H29	0.9300
C8—H8	0.9300	B1—B1'	0.82 (2)
C9—C10	1.367 (12)	B1—F3	1.339 (8)
C10—C11	1.380 (8)	B1—F4	1.365 (8)
C10—H10	0.9300	B1—F2	1.373 (8)
C11—H11	0.9300	B1—F1	1.374 (8)
C12—C13	1.376 (8)	F1—B1'	1.366 (10)
C12—C17	1.393 (9)	F2—B1'	1.368 (10)
C13—C14	1.383 (9)	F3—B1'	1.370 (10)
C13—H13	0.9300	B1'—F4'	1.361 (10)
C14—C15	1.366 (11)
N3—Cu1—N1	102.84 (18)	C14—C15—H15	119.9
N3—Cu1—N2	111.93 (18)	C15—C16—C17	120.9 (7)
N1—Cu1—N2	78.27 (17)	C15—C16—H16	119.5
N3—Cu1—P1	113.53 (15)	C17—C16—H16	119.5
N1—Cu1—P1	128.80 (13)	C16—C17—C12	120.0 (7)
N2—Cu1—P1	116.55 (12)	C16—C17—H17	120.0
C12—P1—C18	103.0 (3)	C12—C17—H17	120.0
C12—P1—C24	104.0 (3)	C19—C18—C23	118.0 (6)
C18—P1—C24	104.0 (3)	C19—C18—P1	118.6 (5)
C12—P1—Cu1	114.76 (18)	C23—C18—P1	123.4 (5)
C18—P1—Cu1	114.2 (2)	C20—C19—C18	120.0 (7)
C24—P1—Cu1	115.4 (2)	C20—C19—H19	120.0
C5—N1—C1	117.3 (5)	C18—C19—H19	120.0
C5—N1—Cu1	114.1 (3)	C21—C20—C19	121.0 (7)
C1—N1—Cu1	128.2 (4)	C21—C20—H20	119.5
C6—N2—N2^i	113.5 (5)	C19—C20—H20	119.5
C6—N2—Cu1	112.2 (3)	C22—C21—C20	120.4 (7)
N2^i—N2—Cu1	133.7 (4)	C22—C21—H21	119.8
N4^ii—N4—C9	107.0 (11)	C20—C21—H21	119.8
N1—C1—C2	122.8 (6)	C21—C22—C23	120.0 (8)
N1—C1—H1	118.6	C21—C22—H22	120.0
C2—C1—H1	118.6	C23—C22—H22	120.0
C3—C2—C1	118.9 (6)	C22—C23—C18	120.7 (7)
C3—C2—H2	120.6	C22—C23—H23	119.7
C1—C2—H2	120.6	C18—C23—H23	119.7
C2—C3—C4	119.6 (6)	C29—C24—C25	118.1 (6)
C2—C3—H3	120.2	C29—C24—P1	118.2 (5)
C4—C3—H3	120.2	C25—C24—P1	123.6 (5)
C3—C4—C5	118.5 (6)	C26—C25—C24	119.4 (8)
C3—C4—H4	120.8	C26—C25—H25	120.3
C5—C4—H4	120.8	C24—C25—H25	120.3
N1—C5—C4	122.8 (5)	C27—C26—C25	120.6 (9)
N1—C5—C6	115.4 (4)	C27—C26—H26	119.7
C4—C5—C6	121.8 (5)	C25—C26—H26	119.7
N2—C6—C5	119.5 (5)	C28—C27—C26	120.2 (8)
N2—C6—H6	120.3	C28—C27—H27	119.9
C5—C6—H6	120.3	C26—C27—H27	119.9
C11—N3—C7	118.4 (5)	C27—C28—C29	120.3 (9)
C11—N3—Cu1	122.2 (4)	C27—C28—H28	119.8
C7—N3—Cu1	119.1 (4)	C29—C28—H28	119.8
N3—C7—C8	123.3 (8)	C28—C29—C24	121.4 (7)
N3—C7—H7	118.4	C28—C29—H29	119.3
C8—C7—H7	118.4	C24—C29—H29	119.3
C7—C8—C9	118.1 (8)	B1'—B1—F3	74.5 (9)
C7—C8—H8	120.9	B1'—B1—F4	177.9 (12)
C9—C8—H8	120.9	F3—B1—F4	103.4 (9)
C10—C9—C8	119.5 (6)	B1'—B1—F2	72.4 (9)
C10—C9—N4	129.7 (8)	F3—B1—F2	111.3 (8)
C8—C9—N4	110.8 (7)	F4—B1—F2	108.7 (8)
C9—C10—C11	118.5 (7)	B1'—B1—F1	72.2 (9)
C9—C10—H10	120.7	F3—B1—F1	115.6 (9)
C11—C10—H10	120.7	F4—B1—F1	109.0 (8)
N3—C11—C10	121.9 (7)	F2—B1—F1	108.6 (8)
N3—C11—H11	119.0	B1'—F1—B1	34.6 (9)
C10—C11—H11	119.0	B1'—F2—B1	34.6 (9)
C13—C12—C17	118.6 (6)	B1—F3—B1'	35.0 (10)
C13—C12—P1	118.6 (4)	B1—B1'—F4'	168.8 (17)
C17—C12—P1	122.7 (5)	B1—B1'—F1	73.2 (11)
C12—C13—C14	120.3 (6)	F4'—B1'—F1	100.5 (13)
C12—C13—H13	119.9	B1—B1'—F2	73.0 (11)
C14—C13—H13	119.9	F4'—B1'—F2	101.1 (15)
C15—C14—C13	120.0 (7)	F1—B1'—F2	109.3 (10)
C15—C14—H14	120.0	B1—B1'—F3	70.5 (11)
C13—C14—H14	120.0	F4'—B1'—F3	120.7 (17)
C16—C15—C14	120.1 (7)	F1—B1'—F3	114.2 (12)
C16—C15—H15	119.9	F2—B1'—F3	109.8 (11)
N3—Cu1—P1—C12	57.1 (3)	C14—C15—C16—C17	−0.8 (13)
N1—Cu1—P1—C12	−74.3 (3)	C15—C16—C17—C12	−0.7 (13)
N2—Cu1—P1—C12	−170.6 (2)	C13—C12—C17—C16	1.9 (11)
N3—Cu1—P1—C18	−61.5 (3)	P1—C12—C17—C16	−174.9 (6)
N1—Cu1—P1—C18	167.1 (2)	C12—P1—C18—C19	−71.7 (6)
N2—Cu1—P1—C18	70.8 (2)	C24—P1—C18—C19	−180.0 (6)
N3—Cu1—P1—C24	178.0 (3)	Cu1—P1—C18—C19	53.4 (6)
N1—Cu1—P1—C24	46.6 (3)	C12—P1—C18—C23	108.1 (6)
N2—Cu1—P1—C24	−49.7 (3)	C24—P1—C18—C23	−0.2 (6)
N3—Cu1—N1—C5	110.3 (4)	Cu1—P1—C18—C23	−126.8 (5)
N2—Cu1—N1—C5	0.2 (3)	C23—C18—C19—C20	−0.6 (11)
P1—Cu1—N1—C5	−114.6 (3)	P1—C18—C19—C20	179.1 (7)
N3—Cu1—N1—C1	−62.4 (5)	C18—C19—C20—C21	1.0 (14)
N2—Cu1—N1—C1	−172.5 (5)	C19—C20—C21—C22	0.2 (15)
P1—Cu1—N1—C1	72.8 (5)	C20—C21—C22—C23	−1.7 (14)
N3—Cu1—N2—C6	−103.9 (4)	C21—C22—C23—C18	2.0 (13)
N1—Cu1—N2—C6	−4.7 (3)	C19—C18—C23—C22	−0.8 (10)
P1—Cu1—N2—C6	123.1 (3)	P1—C18—C23—C22	179.4 (6)
N3—Cu1—N2—N2^i	85.8 (6)	C12—P1—C24—C29	157.2 (5)
N1—Cu1—N2—N2^i	−174.9 (6)	C18—P1—C24—C29	−95.3 (5)
P1—Cu1—N2—N2^i	−47.2 (6)	Cu1—P1—C24—C29	30.6 (6)
C5—N1—C1—C2	−0.8 (8)	C12—P1—C24—C25	−21.6 (6)
Cu1—N1—C1—C2	171.7 (5)	C18—P1—C24—C25	85.9 (6)
N1—C1—C2—C3	0.4 (10)	Cu1—P1—C24—C25	−148.2 (6)
C1—C2—C3—C4	2.0 (10)	C29—C24—C25—C26	1.2 (12)
C2—C3—C4—C5	−4.0 (10)	P1—C24—C25—C26	180.0 (7)
C1—N1—C5—C4	−1.3 (8)	C24—C25—C26—C27	−0.6 (16)
Cu1—N1—C5—C4	−174.8 (4)	C25—C26—C27—C28	0.2 (18)
C1—N1—C5—C6	177.3 (4)	C26—C27—C28—C29	−0.5 (17)
Cu1—N1—C5—C6	3.8 (6)	C27—C28—C29—C24	1.1 (14)
C3—C4—C5—N1	3.7 (9)	C25—C24—C29—C28	−1.4 (11)
C3—C4—C5—C6	−174.9 (6)	P1—C24—C29—C28	179.7 (7)
N2^i—N2—C6—C5	−179.3 (5)	F3—B1—F1—B1'	−62.3 (10)
Cu1—N2—C6—C5	8.4 (6)	F4—B1—F1—B1'	−178.1 (13)
N1—C5—C6—N2	−8.6 (7)	F2—B1—F1—B1'	63.7 (10)
C4—C5—C6—N2	170.1 (5)	F3—B1—F2—B1'	64.9 (9)
N1—Cu1—N3—C11	−117.1 (5)	F4—B1—F2—B1'	178.1 (12)
N2—Cu1—N3—C11	−34.8 (6)	F1—B1—F2—B1'	−63.5 (10)
P1—Cu1—N3—C11	99.7 (5)	F4—B1—F3—B1'	180.0 (12)
N1—Cu1—N3—C7	68.8 (6)	F2—B1—F3—B1'	−63.6 (10)
N2—Cu1—N3—C7	151.2 (5)	F1—B1—F3—B1'	61.0 (10)
P1—Cu1—N3—C7	−74.3 (6)	F3—B1—B1'—F4'	−179 (8)
C11—N3—C7—C8	−2.3 (12)	F4—B1—B1'—F4'	−180 (100)
Cu1—N3—C7—C8	172.0 (7)	F2—B1—B1'—F4'	−60 (8)
N3—C7—C8—C9	−1.9 (14)	F1—B1—B1'—F4'	57 (8)
C7—C8—C9—C10	4.0 (13)	F3—B1—B1'—F1	124.1 (9)
C7—C8—C9—N4	−176.0 (8)	F4—B1—B1'—F1	123 (33)
N4^ii—N4—C9—C10	−14.2 (15)	F2—B1—B1'—F1	−117.0 (8)
N4^ii—N4—C9—C8	165.9 (10)	F3—B1—B1'—F2	−118.9 (8)
C8—C9—C10—C11	−2.1 (12)	F4—B1—B1'—F2	−120 (33)
N4—C9—C10—C11	178.0 (7)	F1—B1—B1'—F2	117.0 (8)
C7—N3—C11—C10	4.4 (10)	F4—B1—B1'—F3	−1 (33)
Cu1—N3—C11—C10	−169.7 (5)	F2—B1—B1'—F3	118.9 (8)
C9—C10—C11—N3	−2.2 (11)	F1—B1—B1'—F3	−124.1 (9)
C18—P1—C12—C13	155.6 (5)	B1—F1—B1'—F4'	−170.4 (17)
C24—P1—C12—C13	−96.1 (5)	B1—F1—B1'—F2	−64.6 (12)
Cu1—P1—C12—C13	30.9 (5)	B1—F1—B1'—F3	58.8 (13)
C18—P1—C12—C17	−27.6 (6)	B1—F2—B1'—F4'	170.2 (16)
C24—P1—C12—C17	80.6 (6)	B1—F2—B1'—F1	64.7 (13)
Cu1—P1—C12—C17	−152.4 (5)	B1—F2—B1'—F3	−61.2 (12)
C17—C12—C13—C14	−1.7 (9)	B1—F3—B1'—F4'	179.7 (19)
P1—C12—C13—C14	175.2 (5)	B1—F3—B1'—F1	−60.3 (13)
C12—C13—C14—C15	0.3 (10)	B1—F3—B1'—F2	62.8 (12)
C13—C14—C15—C16	0.9 (12)

Symmetry codes: (i) −x+1, −y+2, −z+1; (ii) −x+2, −y+2, −z.