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In the title compound, [Cu(C18H32BN4)(C18H15P)], the CuI ion is coordinated by two N atoms from the anionic bidentate chelating bis(3,5-diisopropylpyrazol-1-yl)dihydroborate lig­and [average Cu-N distance = 1.994 (3) Å] and the P atom from a triphenylphosphane ligand [Cu-P distance = 2.1676 (8) Å] in a trigonal geometry [the sum of the angles around the CuI atom is 359.6 (1)°]. The N-Cu-N angle between adjacent coordinated pyrazole-ring N atoms is 98.99 (9)°, while the average N-Cu-P angle between the coordinated pyrazole N atom and the triphenylphosphane P atom is 130.3 (1)°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270113015965/yp3032sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270113015965/yp3032Isup2.hkl
Contains datablock I

CCDC reference: 964738

Comment top

ENTER TEXT

Experimental top

ENTER COMPOUND PREPARATION DETAILS

Refinement top

ENTER SPECIAL DETAILS OF THE REFINEMENT

Computing details top

Data collection: CrystalClear (Rigaku, 2010); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: CrystalStructure 4.0; software used to prepare material for publication: CrystalStructure 4.0 (Rigaku, 2010).

Figures top
ENTER FIGURE CAPTIONS
(I) top
Crystal data top
C36H47BCuN4PF(000) = 1360.00
Mr = 641.12Dx = 1.217 Mg m3
Monoclinic, CcMo Kα radiation, λ = 0.71070 Å
Hall symbol: C -2ycCell parameters from 309 reflections
a = 13.3372 (5) Åθ = 3.0–27.5°
b = 14.3257 (5) ŵ = 0.70 mm1
c = 18.4712 (10) ÅT = 184 K
β = 97.6540 (8)°Chip, colourless
V = 3497.8 (3) Å30.40 × 0.20 × 0.20 mm
Z = 4
Data collection top
Rigaku Mercury70
diffractometer
5155 reflections with F2 > 2.0σ(F2)
Detector resolution: 7.314 pixels mm-1Rint = 0.020
ω scansθmax = 27.5°
Absorption correction: multi-scan
REQAB (Rigaku, 1998)
h = 1117
Tmin = 0.736, Tmax = 0.869k = 1818
14044 measured reflectionsl = 2316
5245 independent reflections
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.030H-atom parameters constrained
wR(F2) = 0.081 w = 1/[σ2(Fo2) + (0.0498P)2 + 1.8074P]
where P = (Fo2 + 2Fc2)/3
S = 1.06(Δ/σ)max = 0.001
5245 reflectionsΔρmax = 0.37 e Å3
388 parametersΔρmin = 0.25 e Å3
2 restraintsAbsolute structure: Flack, 1983. 1237 Friedel Pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.004 (10)
Secondary atom site location: difference Fourier map
Crystal data top
C36H47BCuN4PV = 3497.8 (3) Å3
Mr = 641.12Z = 4
Monoclinic, CcMo Kα radiation
a = 13.3372 (5) ŵ = 0.70 mm1
b = 14.3257 (5) ÅT = 184 K
c = 18.4712 (10) Å0.40 × 0.20 × 0.20 mm
β = 97.6540 (8)°
Data collection top
Rigaku Mercury70
diffractometer
5245 independent reflections
Absorption correction: multi-scan
REQAB (Rigaku, 1998)
5155 reflections with F2 > 2.0σ(F2)
Tmin = 0.736, Tmax = 0.869Rint = 0.020
14044 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.030H-atom parameters constrained
wR(F2) = 0.081Δρmax = 0.37 e Å3
S = 1.06Δρmin = 0.25 e Å3
5245 reflectionsAbsolute structure: Flack, 1983. 1237 Friedel Pairs
388 parametersAbsolute structure parameter: 0.004 (10)
2 restraints
Special details top

Geometry. ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY

Refinement. Refinement was performed using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.31480 (2)0.610908 (19)0.454410 (17)0.02498 (8)
P10.15530 (5)0.57801 (5)0.44862 (3)0.02372 (13)
N110.38523 (16)0.67342 (16)0.37920 (11)0.0271 (5)
N120.48479 (17)0.64832 (15)0.38025 (10)0.0262 (5)
N210.43528 (16)0.57730 (16)0.52580 (11)0.0246 (5)
N220.52110 (16)0.55387 (15)0.49740 (11)0.0237 (4)
C110.2342 (4)0.8055 (5)0.2464 (3)0.094 (2)
C120.2693 (4)0.8908 (4)0.3633 (4)0.090 (2)
C130.2703 (3)0.7978 (3)0.32736 (16)0.0403 (7)
C140.3723 (2)0.7533 (2)0.34109 (13)0.0304 (6)
C150.4634 (3)0.7802 (2)0.31810 (14)0.0325 (6)
C160.5325 (2)0.7127 (2)0.34395 (13)0.0294 (6)
C170.6431 (3)0.7044 (3)0.33530 (16)0.0390 (7)
C180.6569 (3)0.6452 (3)0.2695 (2)0.0560 (9)
C190.6914 (4)0.8000 (3)0.3303 (3)0.0628 (11)
C210.3765 (6)0.6972 (4)0.6606 (4)0.121 (3)
C220.3925 (4)0.5422 (4)0.7182 (2)0.0732 (15)
C230.3768 (3)0.5946 (3)0.64687 (15)0.0344 (6)
C240.4555 (2)0.56912 (19)0.59877 (13)0.0252 (5)
C250.55418 (19)0.53866 (18)0.61684 (13)0.0266 (5)
C260.5942 (2)0.52903 (18)0.55152 (13)0.0256 (5)
C270.6969 (2)0.4970 (2)0.53795 (14)0.0320 (6)
C280.7701 (3)0.5769 (3)0.5383 (3)0.0536 (9)
C290.7388 (3)0.4228 (4)0.5928 (3)0.0584 (10)
C410.0940 (3)0.5693 (2)0.35432 (14)0.0305 (6)
C420.1557 (3)0.5516 (3)0.30124 (16)0.0393 (7)
C430.1142 (3)0.5405 (3)0.22812 (17)0.0511 (9)
C440.0130 (3)0.5482 (3)0.20788 (17)0.0518 (9)
C450.0492 (3)0.5672 (3)0.25971 (18)0.0522 (9)
C460.0094 (3)0.5777 (3)0.33281 (16)0.0416 (7)
C470.07774 (19)0.66003 (18)0.49249 (14)0.0269 (5)
C480.0423 (3)0.7422 (2)0.45733 (18)0.0414 (7)
C490.0101 (3)0.8080 (3)0.4939 (3)0.0505 (9)
C500.0253 (3)0.7927 (3)0.5647 (3)0.0505 (9)
C510.0090 (3)0.7122 (3)0.60018 (19)0.0451 (8)
C520.0609 (3)0.6462 (2)0.56455 (15)0.0341 (6)
C530.1295 (2)0.46526 (17)0.48882 (12)0.0249 (5)
C540.0332 (3)0.4262 (2)0.48232 (15)0.0327 (6)
C550.0170 (3)0.3399 (2)0.51144 (16)0.0374 (7)
C560.0971 (3)0.2909 (2)0.54849 (16)0.0406 (7)
C570.1931 (3)0.3288 (3)0.55576 (19)0.0464 (8)
C580.2096 (3)0.4156 (2)0.52536 (17)0.0383 (7)
B10.5173 (3)0.5508 (3)0.41243 (15)0.0310 (7)
H10.58480.53420.39950.0372*
H20.46840.50280.39170.0372*
H30.29240.81490.22000.1126*
H40.18780.85850.23740.1126*
H50.19900.74790.22920.1126*
H60.20260.90180.37840.1085*
H70.28380.93950.32890.1085*
H80.32100.89220.40630.1085*
H90.22170.75660.34920.0483*
H100.47530.83390.29040.0390*
H110.67820.67240.37970.0468*
H120.65540.68530.22640.0672*
H130.60210.59930.26130.0672*
H140.72200.61280.27830.0672*
H150.71870.82140.37940.0753*
H160.64030.84440.30830.0753*
H170.74620.79580.30000.0753*
H180.44550.72160.66270.1457*
H190.35110.70940.70700.1457*
H200.33270.72810.62090.1457*
H210.32670.52980.73450.0878*
H220.43410.57970.75500.0878*
H230.42670.48290.71140.0878*
H240.30900.57690.62060.0412*
H250.58790.52670.66450.0319*
H260.68970.46800.48830.0383*
H270.80500.58600.58790.0643*
H280.73320.63380.52190.0643*
H290.81980.56270.50520.0643*
H300.71860.36080.57370.0701*
H310.71190.43290.63910.0701*
H320.81270.42690.60110.0701*
H330.22690.54700.31460.0471*
H340.15720.52750.19230.0614*
H350.01470.54050.15810.0621*
H360.12000.57320.24550.0626*
H370.05310.59080.36810.0499*
H380.05390.75360.40850.0496*
H390.03530.86320.46950.0607*
H400.05980.83810.58960.0606*
H410.00280.70170.64910.0542*
H420.08510.59100.58960.0409*
H430.02250.45970.45730.0392*
H440.04920.31400.50610.0449*
H450.08620.23150.56890.0487*
H460.24820.29550.58160.0557*
H470.27610.44070.52980.0459*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.01940 (13)0.02913 (15)0.02610 (13)0.00009 (13)0.00187 (9)0.00505 (12)
P10.0203 (3)0.0265 (3)0.0241 (3)0.0007 (3)0.0018 (2)0.0044 (3)
N110.0235 (11)0.0300 (11)0.0277 (10)0.0033 (9)0.0036 (8)0.0085 (8)
N120.0279 (11)0.0289 (11)0.0229 (10)0.0040 (10)0.0072 (8)0.0037 (8)
N210.0180 (10)0.0339 (12)0.0224 (10)0.0004 (9)0.0044 (8)0.0027 (8)
N220.0213 (11)0.0260 (11)0.0242 (10)0.0043 (9)0.0042 (8)0.0022 (8)
C110.088 (4)0.128 (5)0.056 (3)0.050 (4)0.025 (3)0.002 (3)
C120.052 (3)0.097 (5)0.118 (5)0.042 (3)0.004 (3)0.045 (4)
C130.0308 (15)0.0452 (18)0.0444 (16)0.0091 (14)0.0034 (12)0.0159 (13)
C140.0314 (14)0.0344 (15)0.0257 (12)0.0028 (12)0.0049 (10)0.0067 (10)
C150.0369 (16)0.0343 (15)0.0281 (12)0.0023 (12)0.0110 (11)0.0088 (10)
C160.0348 (15)0.0331 (14)0.0225 (11)0.0027 (12)0.0120 (10)0.0005 (10)
C170.0355 (17)0.0500 (19)0.0347 (15)0.0056 (14)0.0165 (12)0.0054 (12)
C180.058 (3)0.061 (3)0.054 (2)0.015 (2)0.0299 (17)0.0074 (17)
C190.049 (3)0.059 (3)0.087 (3)0.012 (2)0.033 (2)0.013 (2)
C210.190 (7)0.049 (3)0.159 (6)0.027 (4)0.148 (6)0.009 (3)
C220.074 (3)0.105 (4)0.049 (2)0.035 (3)0.039 (2)0.037 (3)
C230.0282 (15)0.0486 (17)0.0279 (13)0.0037 (13)0.0099 (10)0.0052 (11)
C240.0270 (14)0.0264 (13)0.0221 (11)0.0017 (11)0.0033 (9)0.0011 (9)
C250.0253 (13)0.0297 (13)0.0241 (11)0.0023 (11)0.0010 (9)0.0010 (9)
C260.0240 (13)0.0247 (12)0.0272 (12)0.0007 (11)0.0007 (9)0.0021 (9)
C270.0279 (14)0.0372 (15)0.0308 (13)0.0092 (12)0.0041 (10)0.0020 (11)
C280.0303 (17)0.055 (3)0.078 (3)0.0014 (16)0.0166 (16)0.0014 (18)
C290.0361 (19)0.066 (3)0.073 (3)0.0193 (18)0.0072 (17)0.029 (2)
C410.0316 (15)0.0319 (14)0.0268 (12)0.0002 (12)0.0008 (10)0.0043 (10)
C420.0346 (17)0.051 (2)0.0327 (14)0.0015 (15)0.0047 (12)0.0060 (13)
C430.056 (3)0.067 (3)0.0306 (15)0.0002 (19)0.0064 (14)0.0104 (14)
C440.060 (3)0.063 (3)0.0291 (15)0.0017 (19)0.0072 (14)0.0014 (14)
C450.0372 (18)0.076 (3)0.0390 (17)0.0082 (18)0.0123 (13)0.0031 (16)
C460.0295 (16)0.060 (2)0.0343 (15)0.0026 (15)0.0005 (12)0.0041 (13)
C470.0210 (13)0.0254 (13)0.0341 (13)0.0025 (10)0.0027 (10)0.0008 (10)
C480.0445 (18)0.0281 (14)0.0521 (17)0.0028 (13)0.0088 (13)0.0064 (12)
C490.046 (2)0.0252 (15)0.081 (3)0.0059 (14)0.0101 (17)0.0008 (14)
C500.0374 (19)0.0380 (19)0.078 (3)0.0001 (15)0.0133 (16)0.0214 (16)
C510.0412 (19)0.0479 (19)0.0487 (18)0.0034 (16)0.0147 (14)0.0152 (15)
C520.0340 (15)0.0343 (15)0.0342 (14)0.0004 (13)0.0055 (11)0.0015 (11)
C530.0268 (13)0.0245 (12)0.0236 (11)0.0005 (10)0.0036 (9)0.0005 (9)
C540.0278 (14)0.0324 (15)0.0372 (14)0.0015 (11)0.0023 (11)0.0050 (11)
C550.0378 (16)0.0340 (15)0.0414 (15)0.0117 (13)0.0091 (12)0.0010 (11)
C560.0514 (19)0.0259 (14)0.0453 (16)0.0030 (14)0.0093 (13)0.0061 (11)
C570.0401 (18)0.0353 (17)0.062 (2)0.0022 (14)0.0010 (15)0.0176 (14)
C580.0295 (16)0.0328 (15)0.0506 (17)0.0016 (12)0.0021 (12)0.0105 (12)
B10.0382 (18)0.0320 (16)0.0233 (13)0.0084 (13)0.0061 (11)0.0017 (10)
Geometric parameters (Å, º) top
Cu1—P12.1676 (8)C11—H30.980
Cu1—N111.990 (3)C11—H40.980
Cu1—N211.997 (2)C11—H50.980
P1—C411.827 (3)C12—H60.980
P1—C471.825 (3)C12—H70.980
P1—C531.829 (3)C12—H80.980
N11—N121.373 (4)C13—H91.000
N11—C141.342 (4)C15—H100.950
N12—C161.348 (4)C17—H111.000
N12—B11.557 (4)C18—H120.980
N21—N221.363 (4)C18—H130.980
N21—C241.344 (3)C18—H140.980
N22—C261.348 (3)C19—H150.980
N22—B11.564 (4)C19—H160.980
C11—C131.513 (6)C19—H170.980
C12—C131.489 (7)C21—H180.980
C13—C141.494 (5)C21—H190.980
C14—C151.393 (5)C21—H200.980
C15—C161.377 (4)C22—H210.980
C16—C171.509 (5)C22—H220.980
C17—C181.513 (6)C22—H230.980
C17—C191.521 (6)C23—H241.000
C21—C231.492 (6)C25—H250.950
C22—C231.506 (6)C27—H261.000
C23—C241.507 (5)C28—H270.980
C24—C251.385 (4)C28—H280.980
C25—C261.389 (4)C28—H290.980
C26—C271.498 (4)C29—H300.980
C27—C281.503 (5)C29—H310.980
C27—C291.523 (5)C29—H320.980
C41—C421.385 (5)C42—H330.950
C41—C461.389 (5)C43—H340.950
C42—C431.399 (5)C44—H350.950
C43—C441.355 (6)C45—H360.950
C44—C451.375 (6)C46—H370.950
C45—C461.392 (5)C48—H380.950
C47—C481.396 (4)C49—H390.950
C47—C521.393 (4)C50—H400.950
C48—C491.400 (5)C51—H410.950
C49—C501.366 (6)C52—H420.950
C50—C511.375 (5)C54—H430.950
C51—C521.388 (5)C55—H440.950
C53—C541.392 (4)C56—H450.950
C53—C581.382 (4)C57—H460.950
C54—C551.377 (5)C58—H470.950
C55—C561.381 (5)B1—H10.990
C56—C571.380 (5)B1—H20.990
C57—C581.395 (5)
Cu1···C133.558 (4)C43···H21v2.9967
Cu1···C233.549 (3)C43···H42v3.1607
Cu1···C423.410 (3)C44···H10xii3.4931
Cu1···C583.464 (4)C44···H18iv3.4903
Cu1···B13.033 (4)C44···H32xiii3.1223
N11···N223.151 (3)C44···H42v3.2002
N11···C113.513 (6)C45···H7xii3.2718
N11···C123.471 (6)C45···H10xii3.3979
N12···N213.029 (3)C45···H14xiv3.1834
N12···C183.271 (5)C45···H18iv3.5122
N21···C213.207 (7)C45···H19iv3.5508
N22···C283.323 (4)C45···H32xiii3.2473
C11···C153.186 (6)C46···H7xii3.3894
C12···C153.238 (7)C46···H10xii3.5796
C15···C183.438 (6)C48···H30ii3.4181
C15···C193.032 (6)C49···H2ii3.3608
C17···B13.212 (5)C49···H26ii3.5284
C21···C253.455 (8)C49···H30ii3.2944
C22···C253.039 (6)C49···H47ii3.5616
C25···C283.437 (5)C50···H12viii3.5935
C25···C293.050 (5)C50···H30ii3.3784
C27···B13.198 (4)C50···H46ii3.0794
C41···C442.792 (4)C50···H47ii3.3873
C41···C483.253 (5)C51···H12viii3.1926
C41···C543.311 (4)C51···H27xiv3.2489
C42···C452.748 (5)C51···H29xiv3.5841
C43···C462.754 (5)C51···H30ii3.5987
C46···C473.244 (4)C52···H29xiv3.4679
C46···C483.301 (5)C52···H34ix3.5505
C46···C533.593 (4)C52···H35ix3.4096
C46···C543.499 (5)C53···H15xii3.2229
C47···C502.787 (5)C54···H8xii3.0260
C47···C543.403 (4)C54···H29xiv3.5248
C48···C512.767 (5)C54···H35ix3.4257
C49···C522.764 (5)C55···H8xii3.1321
C52···C533.139 (4)C55···H18xii3.5068
C52···C543.497 (4)C55···H32xiv3.5941
C53···C562.787 (4)C55···H35ix3.2806
C54···C572.750 (5)C56···H5ix3.4778
C55···C582.770 (5)C56···H18xii3.2655
N22···C49i3.547 (4)C56···H28xii2.9729
C26···C49i3.564 (5)C57···H5ix3.3784
C49···N22ii3.547 (4)C57···H15xii3.3223
C49···C26ii3.564 (5)C57···H28xii2.9267
Cu1···H22.9277C57···H34ix3.3396
Cu1···H93.0051C57···H40i3.2753
Cu1···H203.4839C58···H15xii3.0321
Cu1···H243.1199C58···H34ix3.3526
Cu1···H332.8422C58···H40i3.3355
Cu1···H472.8878B1···H6i3.3866
P1···H93.3370B1···H22v3.5106
P1···H243.5447B1···H39i3.0037
P1···H332.8049H1···C12i3.3416
P1···H372.9777H1···H6i2.5262
P1···H382.9047H1···H7i3.3924
P1···H422.8873H1···H22v3.5216
P1···H432.9362H1···H39i3.2847
P1···H472.8404H2···C22v3.2932
N11···H13.3070H2···C49i3.3608
N11···H22.6815H2···H6i3.4804
N11···H83.3046H2···H21v3.2798
N11···H92.4818H2···H22v2.7693
N11···H103.1544H2···H23v3.3079
N11···H332.9145H2···H39i2.4669
N12···H103.1287H3···H25iv3.5904
N12···H112.6036H3···H27iv2.8460
N12···H132.9472H3···H41vi3.1904
N21···H13.3223H3···H46v2.9964
N21···H22.7866H4···C25iv3.0414
N21···H183.2549H4···H18iv3.5319
N21···H203.2043H4···H22iv3.5536
N21···H242.5865H4···H25iv2.4113
N21···H253.1381H4···H27iv3.4432
N21···H472.8951H4···H31iv3.5346
N22···H253.1214H4···H45v3.4738
N22···H262.5884H5···C56v3.4778
N22···H283.0299H5···C57v3.3784
C11···H62.8819H5···H18iv3.4680
C11···H72.4859H5···H45v3.1525
C11···H83.2717H5···H46v2.9540
C11···H103.2360H6···C27ii3.2574
C12···H32.9163H6···B1ii3.3866
C12···H42.4761H6···H1ii2.5262
C12···H53.2533H6···H2ii3.4804
C12···H103.3186H6···H14ii3.5697
C13···H102.9515H6···H26ii2.2675
C13···H383.4818H6···H29ii3.5033
C14···H32.5074H7···C18ii3.5020
C14···H43.2775H7···C45iii3.2718
C14···H52.8889H7···C46iii3.3894
C14···H63.2472H7···H1ii3.3924
C14···H72.9137H7···H13ii3.4454
C14···H82.4700H7···H14ii2.7406
C14···H333.5331H7···H26ii3.3748
C15···H32.7625H7···H36iii2.8667
C15···H73.3334H7···H37iii3.0884
C15···H83.1083H7···H43iii3.2794
C15···H93.3653H8···C27ii3.4606
C15···H113.3193H8···C54iii3.0260
C15···H123.5260H8···C55iii3.1321
C15···H133.4287H8···H26ii2.6912
C15···H153.4922H8···H29ii3.0524
C15···H162.5617H8···H30ii3.5699
C16···H12.8079H8···H37iii3.4251
C16···H23.2784H8···H43iii2.3787
C16···H122.9164H8···H44iii2.6064
C16···H132.4918H10···C44iii3.4931
C16···H143.2749H10···C45iii3.3979
C16···H152.9305H10···C46iii3.5796
C16···H162.5136H10···H41vi2.7117
C16···H173.2890H10···H43iii3.5686
C17···H12.8636H12···C29v3.2326
C17···H102.9397H12···C50vi3.5935
C18···H13.1357H12···C51vi3.1926
C18···H153.2742H12···H19vi3.0756
C18···H162.9574H12···H20vi3.4856
C18···H172.4920H12···H25v3.3266
C19···H102.9185H12···H30v3.1205
C19···H122.5237H12···H31v2.5213
C19···H133.3025H12···H36vii3.3751
C19···H142.8966H12···H40vi3.5789
C21···H212.8804H12···H41vi2.8824
C21···H222.4721H13···C22v3.4591
C21···H233.2544H13···C25v3.3133
C22···H182.8890H13···H7i3.4454
C22···H192.4612H13···H22v3.3973
C22···H203.2525H13···H23v2.6707
C22···H252.9180H13···H25v2.5292
C23···H252.9554H13···H31v2.8863
C23···H473.2508H14···C12i3.5658
C24···H182.4949H14···C29v3.4999
C24···H193.2741H14···C45vii3.1834
C24···H202.8664H14···H6i3.5697
C24···H213.2698H14···H7i2.7406
C24···H222.9415H14···H19vi3.4332
C24···H232.4930H14···H25v3.2567
C24···H473.1491H14···H31v2.6394
C25···H183.1642H14···H36vii2.3381
C25···H223.2424H14···H37vii3.2439
C25···H232.7151H15···C53iii3.2229
C25···H243.3252H15···C57iii3.3223
C25···H263.3279H15···C58iii3.0321
C25···H273.5236H15···H33iii3.4534
C25···H283.4279H15···H39vii3.5276
C25···H303.5214H15···H47iii3.2648
C25···H312.5807H16···C41iii3.4084
C26···H12.7946H16···C42iii2.9791
C26···H23.2179H16···C43iii3.1730
C26···H272.9196H16···H21vi3.4914
C26···H282.5026H16···H33iii3.1195
C26···H293.2722H16···H34iii3.4121
C26···H302.9235H16···H41vi3.3506
C26···H312.5105H17···C21vi3.2953
C26···H323.2811H17···C22vi3.5022
C27···H12.8352H17···H19vi2.3563
C27···H252.9438H17···H21vi3.0347
C28···H13.3708H17···H22vi3.2722
C28···H113.3170H18···C44x3.4903
C28···H303.2554H18···C45x3.5122
C28···H312.9514H18···C55iii3.5068
C28···H322.4711H18···C56iii3.2655
C29···H252.9539H18···H4x3.5319
C29···H272.5059H18···H5x3.4680
C29···H283.2919H18···H32ii3.5424
C29···H292.8762H18···H35x3.4519
C41···H93.1863H18···H36x3.4786
C41···H343.2696H18···H44iii3.1919
C41···H363.2657H18···H45iii2.7229
C41···H382.8985H19···C19viii3.3215
C41···H433.0473H19···C45x3.5508
C42···H53.1959H19···H12viii3.0756
C42···H93.1578H19···H14viii3.4332
C42···H353.2527H19···H17viii2.3563
C42···H373.2426H19···H30ii3.5688
C43···H53.1781H19···H36x3.2056
C43···H363.2161H20···C29ii3.0726
C44···H333.2436H20···H12viii3.4856
C44···H373.2568H20···H30ii2.5170
C45···H343.2189H20···H31ii3.3843
C46···H333.2425H20···H32ii2.8792
C46···H353.2615H20···H44iii3.0638
C46···H382.9488H21···C42ix2.9723
C46···H432.8789H21···C43ix2.9967
C47···H372.8698H21···H2ix3.2798
C47···H393.2799H21···H16viii3.4914
C47···H413.2726H21···H17viii3.0347
C47···H433.1959H21···H33ix2.3878
C48···H63.5711H21···H34ix2.4340
C48···H93.3211H22···B1ix3.5106
C48···H372.9123H22···H1ix3.5216
C48···H403.2548H22···H2ix2.7693
C48···H423.2574H22···H4x3.5536
C49···H413.2359H22···H13ix3.3973
C50···H383.2509H22···H17viii3.2722
C50···H423.2475H22···H33ix3.5998
C51···H393.2367H23···H2ix3.3079
C52···H243.4782H23···H13ix2.6707
C52···H383.2584H23···H33ix3.5033
C52···H403.2499H23···H34ix3.5678
C52···H433.4219H23···H40i3.0836
C53···H243.5591H24···H34ix2.9677
C53···H373.5620H25···C11x3.3297
C53···H422.7115H25···C18ix3.1935
C53···H443.2679H25···H3x3.5904
C53···H463.2613H25···H4x2.4113
C54···H373.2691H25···H12ix3.3266
C54···H423.1009H25···H13ix2.5292
C54···H453.2456H25···H14ix3.2567
C54···H473.2488H25···H40i3.5168
C55···H463.2448H25···H45iii3.4233
C56···H433.2417H26···C12i2.8865
C56···H473.2627H26···C49i3.5284
C57···H443.2461H26···H6i2.2675
C58···H243.0939H26···H7i3.3748
C58···H423.3169H26···H8i2.6912
C58···H433.2440H26···H39i3.3321
C58···H453.2662H27···C11x3.5514
B1···H112.8888H27···C51vii3.2489
B1···H133.2243H27···H3x2.8460
B1···H262.7924H27···H4x3.4432
B1···H283.4990H27···H35xi3.1493
H1···H112.3922H27···H41vii3.1341
H1···H132.7569H27···H45iii3.5649
H1···H143.2741H27···H46iii3.0933
H1···H262.2212H28···C56iii2.9729
H1···H283.1420H28···C57iii2.9267
H1···H293.4891H28···H45iii2.6468
H2···H133.4693H28···H46iii2.5612
H2···H263.2777H29···C12i3.5952
H2···H333.4037H29···C51vii3.5841
H3···H63.5331H29···C52vii3.4679
H3···H72.7033H29···C54vii3.5248
H3···H83.5877H29···H6i3.5033
H3···H92.8081H29···H8i3.0524
H3···H102.6208H29···H37vii3.2546
H4···H62.6583H29···H43vii2.8078
H4···H72.2944H30···C21i3.4063
H4···H83.4127H30···C48i3.4181
H4···H92.5197H30···C49i3.2944
H5···H63.5242H30···C50i3.3784
H5···H73.4124H30···C51i3.5987
H5···H92.1992H30···H8i3.5699
H5···H333.2787H30···H12ix3.1205
H5···H343.2624H30···H19i3.5688
H6···H92.1734H30···H20i2.5170
H6···H383.0075H30···H44vii3.5540
H7···H92.7880H31···C18ix2.8402
H7···H103.1309H31···H4x3.5346
H8···H92.5037H31···H12ix2.5213
H8···H103.2706H31···H13ix2.8863
H9···H333.0720H31···H14ix2.6394
H9···H382.6196H31···H20i3.3843
H10···H123.5294H31···H36xi2.7793
H10···H153.4424H32···C21i3.5368
H10···H162.1865H32···C44xi3.1223
H11···H122.8131H32···C45xi3.2473
H11···H132.5136H32···C55vii3.5941
H11···H142.2066H32···H18i3.5424
H11···H152.2022H32···H20i2.8792
H11···H162.8095H32···H35xi2.4445
H11···H172.5434H32···H36xi2.6986
H11···H263.5405H32···H44vii3.1541
H11···H282.6894H33···C19xii3.5867
H11···H293.2013H33···C22v3.2758
H12···H153.4443H33···H15xii3.4534
H12···H162.7578H33···H16xii3.1195
H12···H172.3200H33···H21v2.3878
H13···H173.4299H33···H22v3.5998
H14···H153.5275H33···H23v3.5033
H14···H163.5594H34···C22v3.2667
H14···H172.6655H34···C52v3.5505
H18···H213.5171H34···C57v3.3396
H18···H222.6697H34···C58v3.3526
H18···H233.5528H34···H16xii3.4121
H18···H242.7989H34···H21v2.4340
H18···H253.3744H34···H23v3.5678
H19···H212.6508H34···H24v2.9677
H19···H222.2809H34···H42v2.6319
H19···H233.3961H34···H46v3.5700
H19···H242.4953H35···C29xiii3.3887
H20···H213.5386H35···C52v3.4096
H20···H223.4052H35···C54v3.4257
H20···H242.1886H35···C55v3.2806
H21···H242.1907H35···H18iv3.4519
H22···H242.8005H35···H27xiii3.1493
H22···H252.9142H35···H32xiii2.4445
H23···H242.5276H35···H41v3.4791
H23···H252.5026H35···H42v2.7166
H24···H422.9720H35···H44v3.4787
H24···H472.5730H36···C18xiv3.2356
H25···H273.4931H36···C29xiii3.1761
H25···H303.5041H36···H7xii2.8667
H25···H312.2289H36···H12xiv3.3751
H26···H272.8026H36···H14xiv2.3381
H26···H282.5038H36···H18iv3.4786
H26···H292.1921H36···H19iv3.2056
H26···H302.1984H36···H31xiii2.7793
H26···H312.8073H36···H32xiii2.6986
H26···H322.5436H37···H7xii3.0884
H27···H303.4244H37···H8xii3.4251
H27···H312.7505H37···H14xiv3.2439
H27···H322.2931H37···H29xiv3.2546
H28···H323.4112H39···N21ii3.2782
H29···H303.4990H39···N22ii2.8609
H29···H313.5489H39···C26ii3.1967
H29···H322.6407H39···B1ii3.0037
H33···H342.3410H39···H1ii3.2847
H34···H352.3036H39···H2ii2.4669
H35···H362.3233H39···H15xiv3.5276
H36···H372.3352H39···H26ii3.3321
H37···H382.7832H39···H47ii3.0893
H37···H432.4959H40···C24ii3.3182
H38···H392.3482H40···C25ii3.2575
H39···H402.3118H40···C26ii3.5456
H40···H412.3206H40···C57ii3.2753
H41···H422.3332H40···C58ii3.3355
H42···H433.2603H40···H12viii3.5789
H43···H442.3189H40···H23ii3.0836
H44···H452.3343H40···H25ii3.5168
H45···H462.3292H40···H46ii2.6186
H46···H472.3412H40···H47ii2.7434
Cu1···H44iii3.4936H41···C15viii3.2228
N11···H44iii3.1250H41···H3viii3.1904
N12···H44iii3.3942H41···H10viii2.7117
N21···H39i3.2782H41···H12viii2.8824
N21···H44iii3.4200H41···H16viii3.3506
N21···H45iii3.0228H41···H27xiv3.1341
N22···H39i2.8609H41···H35ix3.4791
N22···H45iii2.9437H42···C43ix3.1607
C11···H25iv3.3297H42···C44ix3.2002
C11···H27iv3.5514H42···H34ix2.6319
C11···H46v3.3963H42···H35ix2.7166
C12···H1ii3.3416H43···C12xii3.2274
C12···H14ii3.5658H43···H7xii3.2794
C12···H26ii2.8865H43···H8xii2.3787
C12···H29ii3.5952H43···H10xii3.5686
C12···H43iii3.2274H43···H29xiv2.8078
C12···H44iii3.5094H44···Cu1xii3.4936
C14···H44iii3.2074H44···N11xii3.1250
C15···H41vi3.2228H44···N12xii3.3942
C15···H44iii3.5314H44···N21xii3.4200
C18···H7i3.5020H44···C12xii3.5094
C18···H25v3.1935H44···C14xii3.2074
C18···H31v2.8402H44···C15xii3.5314
C18···H36vii3.2356H44···C21xii3.5609
C19···H19vi3.3215H44···H8xii2.6064
C19···H33iii3.5867H44···H18xii3.1919
C21···H17viii3.2953H44···H20xii3.0638
C21···H30ii3.4063H44···H30xiv3.5540
C21···H32ii3.5368H44···H32xiv3.1541
C21···H44iii3.5609H44···H35ix3.4787
C21···H45iii3.4922H45···N21xii3.0228
C22···H2ix3.2932H45···N22xii2.9437
C22···H13ix3.4591H45···C21xii3.4922
C22···H17viii3.5022H45···C24xii3.0022
C22···H33ix3.2758H45···C25xii2.9494
C22···H34ix3.2667H45···C26xii2.9214
C24···H40i3.3182H45···C28xii3.4074
C24···H45iii3.0022H45···H4ix3.4738
C25···H4x3.0414H45···H5ix3.1525
C25···H13ix3.3133H45···H18xii2.7229
C25···H40i3.2575H45···H25xii3.4233
C25···H45iii2.9494H45···H27xii3.5649
C26···H39i3.1967H45···H28xii2.6468
C26···H40i3.5456H46···C11ix3.3963
C26···H45iii2.9214H46···C28xii3.2554
C27···H6i3.2574H46···C50i3.0794
C27···H8i3.4606H46···H3ix2.9964
C28···H45iii3.4074H46···H5ix2.9540
C28···H46iii3.2554H46···H27xii3.0933
C29···H12ix3.2326H46···H28xii2.5612
C29···H14ix3.4999H46···H34ix3.5700
C29···H20i3.0726H46···H40i2.6186
C29···H35xi3.3887H47···C49i3.5616
C29···H36xi3.1761H47···C50i3.3873
C41···H16xii3.4084H47···H15xii3.2648
C42···H16xii2.9791H47···H39i3.0893
C42···H21v2.9723H47···H40i2.7434
C43···H16xii3.1730
P1—Cu1—N11127.93 (6)C14—C13—H9107.683
P1—Cu1—N21132.71 (7)C14—C15—H10127.161
N11—Cu1—N2198.99 (9)C16—C15—H10127.164
Cu1—P1—C41111.92 (10)C16—C17—H11107.873
Cu1—P1—C47116.66 (9)C18—C17—H11107.882
Cu1—P1—C53114.10 (9)C19—C17—H11107.876
C41—P1—C47105.04 (13)C17—C18—H12109.465
C41—P1—C53104.00 (12)C17—C18—H13109.471
C47—P1—C53103.88 (12)C17—C18—H14109.474
Cu1—N11—N12114.69 (16)H12—C18—H13109.471
Cu1—N11—C14135.2 (2)H12—C18—H14109.472
N12—N11—C14106.7 (3)H13—C18—H14109.475
N11—N12—C16109.5 (2)C17—C19—H15109.481
N11—N12—B1117.4 (3)C17—C19—H16109.464
C16—N12—B1132.6 (3)C17—C19—H17109.467
Cu1—N21—N22116.63 (15)H15—C19—H16109.476
Cu1—N21—C24135.99 (19)H15—C19—H17109.471
N22—N21—C24107.4 (2)H16—C19—H17109.469
N21—N22—C26109.9 (2)C23—C21—H18109.474
N21—N22—B1118.5 (2)C23—C21—H19109.484
C26—N22—B1131.3 (3)C23—C21—H20109.467
C11—C13—C12110.8 (4)H18—C21—H19109.468
C11—C13—C14111.2 (3)H18—C21—H20109.471
C12—C13—C14111.6 (3)H19—C21—H20109.464
N11—C14—C13120.2 (3)C23—C22—H21109.470
N11—C14—C15109.9 (3)C23—C22—H22109.466
C13—C14—C15129.9 (3)C23—C22—H23109.473
C14—C15—C16105.7 (3)H21—C22—H22109.474
N12—C16—C15108.3 (3)H21—C22—H23109.472
N12—C16—C17122.1 (3)H22—C22—H23109.473
C15—C16—C17129.5 (3)C21—C23—H24107.970
C16—C17—C18110.7 (3)C22—C23—H24107.959
C16—C17—C19111.3 (3)C24—C23—H24107.968
C18—C17—C19111.0 (4)C24—C25—H25126.740
C21—C23—C22110.3 (4)C26—C25—H25126.728
C21—C23—C24110.9 (4)C26—C27—H26107.618
C22—C23—C24111.6 (3)C28—C27—H26107.619
N21—C24—C23120.5 (3)C29—C27—H26107.618
N21—C24—C25109.0 (3)C27—C28—H27109.473
C23—C24—C25130.4 (3)C27—C28—H28109.469
C24—C25—C26106.5 (2)C27—C28—H29109.468
N22—C26—C25107.1 (3)H27—C28—H28109.478
N22—C26—C27123.0 (3)H27—C28—H29109.475
C25—C26—C27129.9 (3)H28—C28—H29109.465
C26—C27—C28112.0 (3)C27—C29—H30109.473
C26—C27—C29111.4 (3)C27—C29—H31109.475
C28—C27—C29110.4 (3)C27—C29—H32109.471
P1—C41—C42117.1 (3)H30—C29—H31109.477
P1—C41—C46124.6 (3)H30—C29—H32109.466
C42—C41—C46118.3 (3)H31—C29—H32109.466
C41—C42—C43120.5 (3)C41—C42—H33119.735
C42—C43—C44120.6 (4)C43—C42—H33119.743
C43—C44—C45119.6 (3)C42—C43—H34119.703
C44—C45—C46120.6 (4)C44—C43—H34119.705
C41—C46—C45120.3 (3)C43—C44—H35120.172
P1—C47—C48120.9 (3)C45—C44—H35120.182
P1—C47—C52120.4 (2)C44—C45—H36119.701
C48—C47—C52118.5 (3)C46—C45—H36119.685
C47—C48—C49120.2 (3)C41—C46—H37119.858
C48—C49—C50120.1 (4)C45—C46—H37119.860
C49—C50—C51120.6 (4)C47—C48—H38119.914
C50—C51—C52120.0 (4)C49—C48—H38119.914
C47—C52—C51120.7 (3)C48—C49—H39119.957
P1—C53—C54122.8 (2)C50—C49—H39119.960
P1—C53—C58118.5 (2)C49—C50—H40119.720
C54—C53—C58118.7 (3)C51—C50—H40119.724
C53—C54—C55121.2 (3)C50—C51—H41119.983
C54—C55—C56119.9 (3)C52—C51—H41119.982
C55—C56—C57119.7 (3)C47—C52—H42119.672
C56—C57—C58120.4 (3)C51—C52—H42119.665
C53—C58—C57120.1 (3)C53—C54—H43119.378
N12—B1—N22109.1 (3)C55—C54—H43119.384
C13—C11—H3109.466C54—C55—H44120.062
C13—C11—H4109.464C56—C55—H44120.065
C13—C11—H5109.479C55—C56—H45120.160
H3—C11—H4109.473C57—C56—H45120.159
H3—C11—H5109.468C56—C57—H46119.796
H4—C11—H5109.477C58—C57—H46119.790
C13—C12—H6109.467C53—C58—H47119.956
C13—C12—H7109.468C57—C58—H47119.944
C13—C12—H8109.463N12—B1—H1109.852
H6—C12—H7109.471N12—B1—H2109.850
H6—C12—H8109.478N22—B1—H1109.852
H7—C12—H8109.480N22—B1—H2109.849
C11—C13—H9107.676H1—B1—H2108.277
C12—C13—H9107.696
P1—Cu1—N11—N12151.16 (9)N21—N22—C26—C251.2 (3)
P1—Cu1—N11—C1453.1 (3)N21—N22—C26—C27178.3 (2)
N11—Cu1—P1—C4123.46 (10)N21—N22—B1—N1258.3 (3)
N11—Cu1—P1—C4797.54 (9)C26—N22—B1—N12128.4 (3)
N11—Cu1—P1—C53141.22 (9)B1—N22—C26—C25174.9 (3)
P1—Cu1—N21—N22138.55 (11)B1—N22—C26—C274.6 (4)
P1—Cu1—N21—C2439.6 (3)C11—C13—C14—N11119.8 (4)
N21—Cu1—P1—C41147.99 (9)C11—C13—C14—C1558.1 (5)
N21—Cu1—P1—C4791.00 (10)C12—C13—C14—N11115.9 (4)
N21—Cu1—P1—C5330.24 (10)C12—C13—C14—C1566.2 (5)
N11—Cu1—N21—N2234.64 (17)N11—C14—C15—C160.1 (3)
N11—Cu1—N21—C24147.2 (2)C13—C14—C15—C16177.9 (3)
N21—Cu1—N11—N1222.50 (16)C14—C15—C16—N120.3 (3)
N21—Cu1—N11—C14133.24 (19)C14—C15—C16—C17179.3 (3)
Cu1—P1—C41—C4221.8 (3)N12—C16—C17—C1885.9 (3)
Cu1—P1—C41—C46159.18 (18)N12—C16—C17—C19150.1 (3)
Cu1—P1—C47—C4880.86 (18)C15—C16—C17—C1893.0 (4)
Cu1—P1—C47—C5292.91 (18)C15—C16—C17—C1931.0 (4)
Cu1—P1—C53—C54171.57 (14)C21—C23—C24—N2182.7 (4)
Cu1—P1—C53—C586.50 (19)C21—C23—C24—C2595.1 (4)
C41—P1—C47—C4843.7 (2)C22—C23—C24—N21153.9 (3)
C41—P1—C47—C52142.52 (18)C22—C23—C24—C2528.3 (5)
C47—P1—C41—C42149.28 (19)N21—C24—C25—C260.4 (3)
C47—P1—C41—C4631.7 (3)C23—C24—C25—C26177.6 (3)
C41—P1—C53—C5449.4 (2)C24—C25—C26—N220.5 (3)
C41—P1—C53—C58128.71 (17)C24—C25—C26—C27179.0 (3)
C53—P1—C41—C42101.9 (2)N22—C26—C27—C2890.3 (3)
C53—P1—C41—C4677.2 (3)N22—C26—C27—C29145.6 (3)
C47—P1—C53—C5460.34 (19)C25—C26—C27—C2890.4 (4)
C47—P1—C53—C58121.59 (17)C25—C26—C27—C2933.8 (4)
C53—P1—C47—C48152.65 (17)P1—C41—C42—C43177.6 (2)
C53—P1—C47—C5233.6 (2)P1—C41—C46—C45178.1 (2)
Cu1—N11—N12—C16161.70 (12)C42—C41—C46—C451.0 (5)
Cu1—N11—N12—B125.4 (3)C46—C41—C42—C431.5 (5)
Cu1—N11—C14—C1325.2 (4)C41—C42—C43—C441.0 (6)
Cu1—N11—C14—C15156.55 (16)C42—C43—C44—C450.1 (6)
N12—N11—C14—C13177.76 (18)C43—C44—C45—C460.6 (6)
N12—N11—C14—C150.5 (3)C44—C45—C46—C410.1 (6)
C14—N11—N12—C160.7 (3)P1—C47—C48—C49174.87 (18)
C14—N11—N12—B1172.19 (17)P1—C47—C52—C51174.67 (17)
N11—N12—C16—C150.7 (3)C48—C47—C52—C510.8 (4)
N11—N12—C16—C17179.76 (18)C52—C47—C48—C491.0 (4)
N11—N12—B1—N2273.2 (3)C47—C48—C49—C501.2 (5)
C16—N12—B1—N22115.9 (3)C48—C49—C50—C511.3 (5)
B1—N12—C16—C15170.8 (2)C49—C50—C51—C521.0 (5)
B1—N12—C16—C178.3 (4)C50—C51—C52—C470.8 (5)
Cu1—N21—N22—C26177.28 (13)P1—C53—C54—C55178.06 (17)
Cu1—N21—N22—B12.6 (3)P1—C53—C58—C57179.04 (18)
Cu1—N21—C24—C234.6 (4)C54—C53—C58—C570.9 (4)
Cu1—N21—C24—C25177.22 (17)C58—C53—C54—C550.0 (4)
N22—N21—C24—C23177.1 (2)C53—C54—C55—C560.6 (5)
N22—N21—C24—C251.1 (3)C54—C55—C56—C570.3 (5)
C24—N21—N22—C261.4 (3)C55—C56—C57—C580.6 (5)
C24—N21—N22—B1176.03 (19)C56—C57—C58—C531.2 (5)
Symmetry codes: (i) x+1/2, y1/2, z; (ii) x1/2, y+1/2, z; (iii) x+1/2, y+1/2, z; (iv) x1/2, y+3/2, z1/2; (v) x, y+1, z1/2; (vi) x+1/2, y+3/2, z1/2; (vii) x+1, y, z; (viii) x1/2, y+3/2, z+1/2; (ix) x, y+1, z+1/2; (x) x+1/2, y+3/2, z+1/2; (xi) x+1, y+1, z+1/2; (xii) x1/2, y1/2, z; (xiii) x1, y+1, z1/2; (xiv) x1, y, z.

Experimental details

Crystal data
Chemical formulaC36H47BCuN4P
Mr641.12
Crystal system, space groupMonoclinic, Cc
Temperature (K)184
a, b, c (Å)13.3372 (5), 14.3257 (5), 18.4712 (10)
β (°) 97.6540 (8)
V3)3497.8 (3)
Z4
Radiation typeMo Kα
µ (mm1)0.70
Crystal size (mm)0.40 × 0.20 × 0.20
Data collection
DiffractometerRigaku Mercury70
diffractometer
Absorption correctionMulti-scan
REQAB (Rigaku, 1998)
Tmin, Tmax0.736, 0.869
No. of measured, independent and
observed [F2 > 2.0σ(F2)] reflections
14044, 5245, 5155
Rint0.020
(sin θ/λ)max1)0.649
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.030, 0.081, 1.06
No. of reflections5245
No. of parameters388
No. of restraints2
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.37, 0.25
Absolute structureFlack, 1983. 1237 Friedel Pairs
Absolute structure parameter0.004 (10)

Computer programs: CrystalClear (Rigaku, 2010), CrystalClear, SIR97 (Altomare et al., 1999), SHELXL97 (Sheldrick, 2008), CrystalStructure 4.0 (Rigaku, 2010).

Selected geometric parameters (Å, º) top
Cu1—P12.1676 (8)C23—C241.507 (5)
Cu1—N111.990 (3)C24—C251.385 (4)
Cu1—N211.997 (2)C25—C261.389 (4)
P1—C411.827 (3)C26—C271.498 (4)
P1—C471.825 (3)C27—C281.503 (5)
P1—C531.829 (3)C27—C291.523 (5)
N11—N121.373 (4)C41—C421.385 (5)
N11—C141.342 (4)C41—C461.389 (5)
N12—C161.348 (4)C42—C431.399 (5)
N12—B11.557 (4)C43—C441.355 (6)
N21—N221.363 (4)C44—C451.375 (6)
N21—C241.344 (3)C45—C461.392 (5)
N22—C261.348 (3)C47—C481.396 (4)
N22—B11.564 (4)C47—C521.393 (4)
C11—C131.513 (6)C48—C491.400 (5)
C12—C131.489 (7)C49—C501.366 (6)
C13—C141.494 (5)C50—C511.375 (5)
C14—C151.393 (5)C51—C521.388 (5)
C15—C161.377 (4)C53—C541.392 (4)
C16—C171.509 (5)C53—C581.382 (4)
C17—C181.513 (6)C54—C551.377 (5)
C17—C191.521 (6)C55—C561.381 (5)
C21—C231.492 (6)C56—C571.380 (5)
C22—C231.506 (6)C57—C581.395 (5)
P1—Cu1—N11127.93 (6)C22—C23—C24111.6 (3)
P1—Cu1—N21132.71 (7)N21—C24—C23120.5 (3)
N11—Cu1—N2198.99 (9)N21—C24—C25109.0 (3)
Cu1—P1—C41111.92 (10)C23—C24—C25130.4 (3)
Cu1—P1—C47116.66 (9)C24—C25—C26106.5 (2)
Cu1—P1—C53114.10 (9)N22—C26—C25107.1 (3)
C41—P1—C47105.04 (13)N22—C26—C27123.0 (3)
C41—P1—C53104.00 (12)C25—C26—C27129.9 (3)
C47—P1—C53103.88 (12)C26—C27—C28112.0 (3)
Cu1—N11—N12114.69 (16)C26—C27—C29111.4 (3)
Cu1—N11—C14135.2 (2)C28—C27—C29110.4 (3)
N12—N11—C14106.7 (3)P1—C41—C42117.1 (3)
N11—N12—C16109.5 (2)P1—C41—C46124.6 (3)
N11—N12—B1117.4 (3)C42—C41—C46118.3 (3)
C16—N12—B1132.6 (3)C41—C42—C43120.5 (3)
Cu1—N21—N22116.63 (15)C42—C43—C44120.6 (4)
Cu1—N21—C24135.99 (19)C43—C44—C45119.6 (3)
N22—N21—C24107.4 (2)C44—C45—C46120.6 (4)
N21—N22—C26109.9 (2)C41—C46—C45120.3 (3)
N21—N22—B1118.5 (2)P1—C47—C48120.9 (3)
C26—N22—B1131.3 (3)P1—C47—C52120.4 (2)
C11—C13—C12110.8 (4)C48—C47—C52118.5 (3)
C11—C13—C14111.2 (3)C47—C48—C49120.2 (3)
C12—C13—C14111.6 (3)C48—C49—C50120.1 (4)
N11—C14—C13120.2 (3)C49—C50—C51120.6 (4)
N11—C14—C15109.9 (3)C50—C51—C52120.0 (4)
C13—C14—C15129.9 (3)C47—C52—C51120.7 (3)
C14—C15—C16105.7 (3)P1—C53—C54122.8 (2)
N12—C16—C15108.3 (3)P1—C53—C58118.5 (2)
N12—C16—C17122.1 (3)C54—C53—C58118.7 (3)
C15—C16—C17129.5 (3)C53—C54—C55121.2 (3)
C16—C17—C18110.7 (3)C54—C55—C56119.9 (3)
C16—C17—C19111.3 (3)C55—C56—C57119.7 (3)
C18—C17—C19111.0 (4)C56—C57—C58120.4 (3)
C21—C23—C22110.3 (4)C53—C58—C57120.1 (3)
C21—C23—C24110.9 (4)N12—B1—N22109.1 (3)
 

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