Acta Cryst. (2009). E65, m1085 [ doi:10.1107/S1600536809031754 ]
-trans-N,N'-Bis[(diphenylphosphanyl)methyl]benzene-1,4-diamine-
2P:P'}bis{(acetonitrile-
N)[dipyrido[3,2-a:2',3'-c]phenazine-
2N4,N5]copper(I)} bis(tetrafluoridoborate)In the centrosymmetric dinuclear title compound, [Cu2(C2H3N)2(C18H10N4)2(C32H30N2P2)](BF4)2, the CuI centre is coordinated by two N atoms from a dipyridophenazine ligand, one P atom from an N,N'-bis[(diphenylphosphanyl)methyl]benzene-1,4-diamine (bpbda) ligand, and one N atom from an acetonitrile molecule in a distorted tetrahedral geometry. The bpbda ligand, lying on an inversion center, bridges two CuI centres into a Z-shaped complex. Intramolecular
-
interactions between the dipyridophenazine ligand and the benzene ring of the bpbda ligand are observed [centroid-centroid distance = 3.459 (3) Å]. The crystal structure also involves intermolecular
-
interactions between the dipyridophenazine ligands [centroid-centroid distance = 3.506 (3) Å], which lead to a one-dimensional supramolecular structure.
CuBF4.4CH3CN (0.066 g, 0.2 mmol) was added with stirring to a solution of dipyrido[3,2 - a:2',3'-c]phenazine (0.056 g, 0.2 mmol) and N,N'-bis[(diphenylphosphanyl)methyl]benzene-1,4-diamine (0.050 g, 0.10 mmol) in DMF(10 ml). The resulting solution was allowed to stir for 2 h. Then by slow diffusion of diethyl ether into the solution, block red crystals were deposited in 6 d (yield: 60%).
H atoms were positioned geometrically and refined as riding atoms, with C—H = 0.93 (aromatic), 0.97 (CH2), and 0.96 (CH3) Å and N—H = 0.86 Å, and with Uiso(H) = 1.2(1.5 for methyl)Ueq(C,N).
Data collection: CrystalClear (Rigaku 2005); cell refinement: CrystalClear (Rigaku 2005); data reduction: CrystalClear (Rigaku 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).
| Fig. 1. The molecular structure of the title complex. Displacement ellipsoids are drawn at the 30% probability level. H atoms have been omitted for clarity. [Symmetry code: (i) -x, 1 - y, -z.] |
| [Cu2(C2H3N)2(C18H10N4)2(C32H30N2P2)](BF4)2 | Z = 1 |
| Mr = 1451.93 | F(000) = 742 |
| Triclinic, P1 | Dx = 1.502 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
| a = 12.1074 (3) Å | Cell parameters from 12749 reflections |
| b = 12.3354 (2) Å | θ = 2.6–27.5° |
| c = 12.6262 (3) Å | µ = 0.79 mm−1 |
| α = 84.905 (1)° | T = 293 K |
| β = 68.250 (1)° | Block, red |
| γ = 66.732 (1)° | 0.32 × 0.24 × 0.20 mm |
| V = 1605.35 (6) Å3 |
| Rigaku Mercury CCD diffractometer | 7288 independent reflections |
| Radiation source: fine-focus sealed tube | 6153 reflections with I > 2σ(I) |
| graphite | Rint = 0.020 |
| ω scans | θmax = 27.5°, θmin = 3.1° |
| Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) | h = −15→15 |
| Tmin = 0.786, Tmax = 0.858 | k = −14→16 |
| 15862 measured reflections | l = −16→16 |
| 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)] = 0.041 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.119 | H-atom parameters constrained |
| S = 1.08 | w = 1/[σ2(Fo2) + (0.0641P)2 + 1.098P] where P = (Fo2 + 2Fc2)/3 |
| 7288 reflections | (Δ/σ)max = 0.001 |
| 443 parameters | Δρmax = 0.80 e Å−3 |
| 0 restraints | Δρmin = −0.58 e Å−3 |
| [Cu2(C2H3N)2(C18H10N4)2(C32H30N2P2)](BF4)2 | γ = 66.732 (1)° |
| Mr = 1451.93 | V = 1605.35 (6) Å3 |
| Triclinic, P1 | Z = 1 |
| a = 12.1074 (3) Å | Mo Kα radiation |
| b = 12.3354 (2) Å | µ = 0.79 mm−1 |
| c = 12.6262 (3) Å | T = 293 K |
| α = 84.905 (1)° | 0.32 × 0.24 × 0.20 mm |
| β = 68.250 (1)° |
| Rigaku Mercury CCD diffractometer | 7288 independent reflections |
| Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) | 6153 reflections with I > 2σ(I) |
| Tmin = 0.786, Tmax = 0.858 | Rint = 0.020 |
| 15862 measured reflections | θmax = 27.5° |
| R[F2 > 2σ(F2)] = 0.041 | H-atom parameters constrained |
| wR(F2) = 0.119 | Δρmax = 0.80 e Å−3 |
| S = 1.08 | Δρmin = −0.58 e Å−3 |
| 7288 reflections | Absolute structure: ? |
| 443 parameters | Flack parameter: ? |
| 0 restraints | Rogers parameter: ? |
| x | y | z | Uiso*/Ueq | ||
| Cu1 | 0.10933 (3) | 0.22834 (2) | 0.22835 (2) | 0.02592 (10) | |
| P2 | −0.08284 (5) | 0.22819 (5) | 0.26979 (4) | 0.02005 (12) | |
| N1 | −0.17869 (19) | 0.45511 (16) | 0.19707 (16) | 0.0271 (4) | |
| H1A | −0.2264 | 0.5113 | 0.2499 | 0.033* | |
| N2 | 0.09991 (17) | 0.39591 (17) | 0.25741 (15) | 0.0243 (4) | |
| N3 | 0.24317 (17) | 0.24169 (16) | 0.07427 (16) | 0.0235 (4) | |
| N4 | 0.28443 (17) | 0.67402 (16) | 0.06715 (16) | 0.0235 (4) | |
| N5 | 0.43829 (17) | 0.50979 (16) | −0.12465 (15) | 0.0229 (4) | |
| N6 | 0.2192 (2) | 0.1156 (2) | 0.3096 (2) | 0.0385 (5) | |
| C1 | −0.0878 (2) | 0.47431 (18) | 0.09971 (18) | 0.0217 (4) | |
| C2 | −0.0740 (2) | 0.58216 (18) | 0.09225 (18) | 0.0236 (4) | |
| H2A | −0.1231 | 0.6381 | 0.1539 | 0.028* | |
| C3 | 0.0115 (2) | 0.60781 (18) | −0.00522 (19) | 0.0239 (4) | |
| H3A | 0.0181 | 0.6807 | −0.0077 | 0.029* | |
| C4 | −0.1965 (2) | 0.34561 (19) | 0.21331 (19) | 0.0252 (4) | |
| H4A | −0.1872 | 0.3157 | 0.1407 | 0.030* | |
| H4B | −0.2841 | 0.3614 | 0.2657 | 0.030* | |
| C5 | −0.1659 (2) | 0.24715 (19) | 0.42484 (18) | 0.0233 (4) | |
| C6 | −0.2826 (3) | 0.3388 (2) | 0.4826 (2) | 0.0369 (5) | |
| H6A | −0.3246 | 0.3960 | 0.4420 | 0.044* | |
| C7 | −0.3369 (3) | 0.3449 (3) | 0.6016 (2) | 0.0450 (7) | |
| H7A | −0.4155 | 0.4060 | 0.6399 | 0.054* | |
| C8 | −0.2757 (3) | 0.2619 (3) | 0.6627 (2) | 0.0456 (7) | |
| H8A | −0.3124 | 0.2669 | 0.7421 | 0.055* | |
| C9 | −0.1597 (3) | 0.1711 (3) | 0.6061 (2) | 0.0435 (6) | |
| H9A | −0.1184 | 0.1141 | 0.6473 | 0.052* | |
| C10 | −0.1044 (3) | 0.1641 (2) | 0.4884 (2) | 0.0346 (5) | |
| H10A | −0.0252 | 0.1032 | 0.4511 | 0.042* | |
| C11 | −0.1028 (2) | 0.09916 (18) | 0.23379 (18) | 0.0225 (4) | |
| C12 | 0.0021 (2) | 0.0079 (2) | 0.1606 (2) | 0.0340 (5) | |
| H12A | 0.0829 | 0.0121 | 0.1315 | 0.041* | |
| C13 | −0.0124 (3) | −0.0894 (2) | 0.1304 (3) | 0.0458 (7) | |
| H13A | 0.0584 | −0.1500 | 0.0808 | 0.055* | |
| C14 | −0.1316 (3) | −0.0966 (2) | 0.1738 (3) | 0.0422 (6) | |
| H14A | −0.1408 | −0.1629 | 0.1547 | 0.051* | |
| C15 | −0.2375 (3) | −0.0056 (2) | 0.2456 (2) | 0.0394 (6) | |
| H15A | −0.3182 | −0.0101 | 0.2737 | 0.047* | |
| C16 | −0.2240 (2) | 0.0923 (2) | 0.2760 (2) | 0.0314 (5) | |
| H16A | −0.2955 | 0.1535 | 0.3244 | 0.038* | |
| C17 | 0.3083 (2) | 0.16616 (19) | −0.0179 (2) | 0.0285 (5) | |
| H17A | 0.2994 | 0.0942 | −0.0134 | 0.034* | |
| C18 | 0.3884 (2) | 0.1896 (2) | −0.1201 (2) | 0.0323 (5) | |
| H18A | 0.4305 | 0.1351 | −0.1829 | 0.039* | |
| C19 | 0.4051 (2) | 0.2946 (2) | −0.12743 (19) | 0.0266 (4) | |
| H19A | 0.4584 | 0.3120 | −0.1954 | 0.032* | |
| C20 | 0.3411 (2) | 0.37443 (18) | −0.03170 (18) | 0.0221 (4) | |
| C21 | 0.25879 (19) | 0.34513 (18) | 0.06730 (17) | 0.0203 (4) | |
| C22 | 0.35395 (19) | 0.48708 (18) | −0.03267 (17) | 0.0203 (4) | |
| C23 | 0.4471 (2) | 0.61545 (19) | −0.12338 (18) | 0.0228 (4) | |
| C24 | 0.5343 (2) | 0.6453 (2) | −0.2205 (2) | 0.0284 (5) | |
| H24A | 0.5846 | 0.5925 | −0.2846 | 0.034* | |
| C25 | 0.5442 (2) | 0.7513 (2) | −0.2196 (2) | 0.0319 (5) | |
| H25A | 0.6007 | 0.7708 | −0.2836 | 0.038* | |
| C26 | 0.4696 (2) | 0.8321 (2) | −0.1225 (2) | 0.0321 (5) | |
| H26A | 0.4793 | 0.9033 | −0.1228 | 0.039* | |
| C27 | 0.3836 (2) | 0.8074 (2) | −0.0283 (2) | 0.0293 (5) | |
| H27A | 0.3344 | 0.8619 | 0.0346 | 0.035* | |
| C28 | 0.3696 (2) | 0.69847 (19) | −0.02664 (19) | 0.0233 (4) | |
| C29 | 0.27640 (19) | 0.57019 (18) | 0.06501 (17) | 0.0208 (4) | |
| C30 | 0.1861 (2) | 0.54033 (19) | 0.16478 (17) | 0.0213 (4) | |
| C31 | 0.1007 (2) | 0.6216 (2) | 0.25919 (19) | 0.0272 (4) | |
| H31A | 0.1013 | 0.6966 | 0.2607 | 0.033* | |
| C32 | 0.0160 (2) | 0.5884 (2) | 0.3496 (2) | 0.0321 (5) | |
| H32A | −0.0428 | 0.6413 | 0.4122 | 0.039* | |
| C33 | 0.0201 (2) | 0.4748 (2) | 0.34555 (19) | 0.0304 (5) | |
| H33A | −0.0359 | 0.4526 | 0.4077 | 0.037* | |
| C34 | 0.18047 (19) | 0.42966 (19) | 0.16690 (17) | 0.0214 (4) | |
| C35 | 0.2723 (3) | 0.0633 (3) | 0.3657 (3) | 0.0412 (6) | |
| C36 | 0.3417 (4) | −0.0034 (4) | 0.4389 (3) | 0.0687 (11) | |
| H36A | 0.4198 | 0.0095 | 0.4199 | 0.103* | |
| H36B | 0.3627 | −0.0862 | 0.4274 | 0.103* | |
| H36C | 0.2882 | 0.0225 | 0.5174 | 0.103* | |
| B1 | 0.3624 (3) | 0.2824 (3) | 0.5497 (3) | 0.0415 (7) | |
| F1 | 0.3397 (4) | 0.3829 (3) | 0.5988 (3) | 0.1497 (16) | |
| F2 | 0.2814 (2) | 0.2991 (4) | 0.4946 (2) | 0.1521 (18) | |
| F3 | 0.3415 (4) | 0.2126 (3) | 0.6392 (3) | 0.1330 (13) | |
| F4 | 0.4840 (2) | 0.2329 (3) | 0.47575 (19) | 0.0965 (9) |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Cu1 | 0.02530 (15) | 0.03051 (16) | 0.02609 (16) | −0.01641 (12) | −0.00980 (11) | 0.01035 (11) |
| P2 | 0.0219 (3) | 0.0217 (3) | 0.0183 (3) | −0.0115 (2) | −0.0070 (2) | 0.00549 (19) |
| N1 | 0.0339 (10) | 0.0211 (8) | 0.0254 (10) | −0.0120 (8) | −0.0094 (8) | 0.0054 (7) |
| N2 | 0.0240 (9) | 0.0328 (10) | 0.0186 (9) | −0.0149 (8) | −0.0074 (7) | 0.0058 (7) |
| N3 | 0.0220 (8) | 0.0247 (9) | 0.0244 (9) | −0.0103 (7) | −0.0085 (7) | 0.0052 (7) |
| N4 | 0.0230 (9) | 0.0243 (9) | 0.0239 (9) | −0.0097 (7) | −0.0090 (7) | 0.0021 (7) |
| N5 | 0.0222 (8) | 0.0267 (9) | 0.0211 (9) | −0.0115 (7) | −0.0080 (7) | 0.0044 (7) |
| N6 | 0.0364 (11) | 0.0447 (12) | 0.0473 (13) | −0.0256 (10) | −0.0234 (10) | 0.0239 (10) |
| C1 | 0.0260 (10) | 0.0210 (9) | 0.0223 (10) | −0.0100 (8) | −0.0137 (8) | 0.0071 (8) |
| C2 | 0.0301 (11) | 0.0208 (10) | 0.0224 (10) | −0.0094 (9) | −0.0133 (9) | 0.0030 (8) |
| C3 | 0.0318 (11) | 0.0188 (9) | 0.0266 (11) | −0.0118 (9) | −0.0154 (9) | 0.0055 (8) |
| C4 | 0.0257 (10) | 0.0267 (10) | 0.0262 (11) | −0.0122 (9) | −0.0122 (9) | 0.0092 (8) |
| C5 | 0.0277 (10) | 0.0276 (10) | 0.0190 (10) | −0.0173 (9) | −0.0067 (8) | 0.0024 (8) |
| C6 | 0.0361 (13) | 0.0379 (13) | 0.0299 (13) | −0.0126 (11) | −0.0062 (10) | −0.0005 (10) |
| C7 | 0.0399 (14) | 0.0537 (17) | 0.0315 (14) | −0.0204 (13) | 0.0034 (11) | −0.0143 (12) |
| C8 | 0.0491 (16) | 0.079 (2) | 0.0187 (12) | −0.0401 (16) | −0.0059 (11) | −0.0017 (12) |
| C9 | 0.0506 (16) | 0.0622 (18) | 0.0270 (13) | −0.0295 (15) | −0.0184 (12) | 0.0127 (12) |
| C10 | 0.0368 (13) | 0.0413 (13) | 0.0247 (12) | −0.0149 (11) | −0.0114 (10) | 0.0063 (10) |
| C11 | 0.0289 (10) | 0.0214 (9) | 0.0192 (10) | −0.0110 (9) | −0.0102 (8) | 0.0037 (8) |
| C12 | 0.0303 (12) | 0.0300 (12) | 0.0368 (13) | −0.0082 (10) | −0.0103 (10) | −0.0012 (10) |
| C13 | 0.0467 (16) | 0.0277 (12) | 0.0545 (18) | −0.0031 (12) | −0.0192 (14) | −0.0102 (12) |
| C14 | 0.0585 (17) | 0.0266 (12) | 0.0513 (17) | −0.0180 (12) | −0.0291 (14) | 0.0012 (11) |
| C15 | 0.0446 (15) | 0.0397 (14) | 0.0466 (16) | −0.0259 (12) | −0.0208 (12) | 0.0062 (12) |
| C16 | 0.0318 (12) | 0.0314 (12) | 0.0311 (12) | −0.0154 (10) | −0.0076 (10) | −0.0011 (9) |
| C17 | 0.0316 (11) | 0.0220 (10) | 0.0310 (12) | −0.0119 (9) | −0.0087 (10) | 0.0003 (9) |
| C18 | 0.0355 (12) | 0.0278 (11) | 0.0280 (12) | −0.0121 (10) | −0.0047 (10) | −0.0041 (9) |
| C19 | 0.0264 (11) | 0.0287 (11) | 0.0206 (10) | −0.0119 (9) | −0.0026 (8) | 0.0002 (8) |
| C20 | 0.0210 (9) | 0.0235 (10) | 0.0215 (10) | −0.0083 (8) | −0.0084 (8) | 0.0032 (8) |
| C21 | 0.0205 (9) | 0.0220 (9) | 0.0205 (10) | −0.0097 (8) | −0.0089 (8) | 0.0039 (8) |
| C22 | 0.0193 (9) | 0.0231 (10) | 0.0194 (10) | −0.0091 (8) | −0.0076 (8) | 0.0035 (8) |
| C23 | 0.0208 (9) | 0.0272 (10) | 0.0229 (10) | −0.0115 (8) | −0.0095 (8) | 0.0059 (8) |
| C24 | 0.0257 (11) | 0.0339 (12) | 0.0255 (11) | −0.0146 (10) | −0.0070 (9) | 0.0060 (9) |
| C25 | 0.0296 (11) | 0.0371 (12) | 0.0339 (13) | −0.0198 (10) | −0.0120 (10) | 0.0128 (10) |
| C26 | 0.0317 (12) | 0.0269 (11) | 0.0421 (14) | −0.0159 (10) | −0.0151 (11) | 0.0095 (10) |
| C27 | 0.0288 (11) | 0.0241 (11) | 0.0352 (13) | −0.0105 (9) | −0.0122 (10) | 0.0029 (9) |
| C28 | 0.0213 (10) | 0.0242 (10) | 0.0268 (11) | −0.0097 (8) | −0.0113 (8) | 0.0058 (8) |
| C29 | 0.0200 (9) | 0.0235 (10) | 0.0198 (10) | −0.0084 (8) | −0.0085 (8) | 0.0026 (8) |
| C30 | 0.0210 (9) | 0.0258 (10) | 0.0185 (10) | −0.0104 (8) | −0.0079 (8) | 0.0029 (8) |
| C31 | 0.0275 (11) | 0.0306 (11) | 0.0230 (11) | −0.0125 (9) | −0.0068 (9) | −0.0012 (9) |
| C32 | 0.0319 (12) | 0.0409 (13) | 0.0201 (11) | −0.0161 (11) | −0.0028 (9) | −0.0030 (9) |
| C33 | 0.0289 (11) | 0.0440 (13) | 0.0176 (10) | −0.0184 (11) | −0.0035 (9) | 0.0031 (9) |
| C34 | 0.0189 (9) | 0.0291 (10) | 0.0180 (10) | −0.0101 (8) | −0.0085 (8) | 0.0049 (8) |
| C35 | 0.0403 (14) | 0.0471 (15) | 0.0474 (16) | −0.0264 (13) | −0.0222 (13) | 0.0224 (13) |
| C36 | 0.075 (2) | 0.082 (3) | 0.069 (2) | −0.035 (2) | −0.051 (2) | 0.041 (2) |
| B1 | 0.0398 (16) | 0.0427 (16) | 0.0314 (15) | −0.0105 (14) | −0.0062 (13) | −0.0043 (12) |
| F1 | 0.203 (4) | 0.0699 (18) | 0.118 (3) | −0.039 (2) | −0.001 (3) | −0.0445 (17) |
| F2 | 0.0429 (13) | 0.326 (5) | 0.0545 (15) | −0.038 (2) | −0.0104 (11) | −0.029 (2) |
| F3 | 0.194 (4) | 0.138 (3) | 0.089 (2) | −0.106 (3) | −0.043 (2) | 0.058 (2) |
| F4 | 0.0443 (11) | 0.151 (2) | 0.0487 (13) | 0.0050 (13) | −0.0107 (10) | −0.0139 (14) |
| Cu1—N2 | 2.0828 (19) | C13—H13A | 0.9300 |
| Cu1—N3 | 2.0628 (18) | C14—C15 | 1.382 (4) |
| Cu1—N6 | 2.013 (2) | C14—H14A | 0.9300 |
| Cu1—P2 | 2.1883 (6) | C15—C16 | 1.385 (3) |
| P2—C11 | 1.820 (2) | C15—H15A | 0.9300 |
| P2—C5 | 1.826 (2) | C16—H16A | 0.9300 |
| P2—C4 | 1.862 (2) | C17—C18 | 1.384 (3) |
| N1—C1 | 1.389 (3) | C17—H17A | 0.9300 |
| N1—C4 | 1.435 (3) | C18—C19 | 1.378 (3) |
| N1—H1A | 0.8600 | C18—H18A | 0.9300 |
| N2—C33 | 1.331 (3) | C19—C20 | 1.395 (3) |
| N2—C34 | 1.357 (3) | C19—H19A | 0.9300 |
| N3—C17 | 1.333 (3) | C20—C21 | 1.402 (3) |
| N3—C21 | 1.353 (3) | C20—C22 | 1.457 (3) |
| N4—C29 | 1.326 (3) | C21—C34 | 1.461 (3) |
| N4—C28 | 1.354 (3) | C22—C29 | 1.435 (3) |
| N5—C22 | 1.326 (3) | C23—C24 | 1.422 (3) |
| N5—C23 | 1.351 (3) | C23—C28 | 1.426 (3) |
| N6—C35 | 1.123 (3) | C24—C25 | 1.361 (3) |
| C1—C2 | 1.396 (3) | C24—H24A | 0.9300 |
| C1—C3i | 1.400 (3) | C25—C26 | 1.413 (4) |
| C2—C3 | 1.390 (3) | C25—H25A | 0.9300 |
| C2—H2A | 0.9300 | C26—C27 | 1.363 (3) |
| C3—C1i | 1.400 (3) | C26—H26A | 0.9300 |
| C3—H3A | 0.9300 | C27—C28 | 1.417 (3) |
| C4—H4A | 0.9700 | C27—H27A | 0.9300 |
| C4—H4B | 0.9700 | C29—C30 | 1.461 (3) |
| C5—C6 | 1.389 (3) | C30—C34 | 1.391 (3) |
| C5—C10 | 1.394 (3) | C30—C31 | 1.405 (3) |
| C6—C7 | 1.394 (4) | C31—C32 | 1.380 (3) |
| C6—H6A | 0.9300 | C31—H31A | 0.9300 |
| C7—C8 | 1.370 (5) | C32—C33 | 1.388 (3) |
| C7—H7A | 0.9300 | C32—H32A | 0.9300 |
| C8—C9 | 1.377 (4) | C33—H33A | 0.9300 |
| C8—H8A | 0.9300 | C35—C36 | 1.460 (4) |
| C9—C10 | 1.380 (4) | C36—H36A | 0.9600 |
| C9—H9A | 0.9300 | C36—H36B | 0.9600 |
| C10—H10A | 0.9300 | C36—H36C | 0.9600 |
| C11—C12 | 1.386 (3) | B1—F1 | 1.317 (4) |
| C11—C16 | 1.398 (3) | B1—F4 | 1.336 (4) |
| C12—C13 | 1.384 (4) | B1—F2 | 1.345 (4) |
| C12—H12A | 0.9300 | B1—F3 | 1.368 (4) |
| C13—C14 | 1.378 (4) | ||
| N6—Cu1—N3 | 103.38 (8) | C16—C15—H15A | 119.9 |
| N6—Cu1—N2 | 106.93 (8) | C15—C16—C11 | 119.9 (2) |
| N3—Cu1—N2 | 80.51 (7) | C15—C16—H16A | 120.1 |
| N6—Cu1—P2 | 116.55 (6) | C11—C16—H16A | 120.1 |
| N3—Cu1—P2 | 130.67 (5) | N3—C17—C18 | 123.2 (2) |
| N2—Cu1—P2 | 111.75 (5) | N3—C17—H17A | 118.4 |
| C11—P2—C5 | 102.19 (9) | C18—C17—H17A | 118.4 |
| C11—P2—C4 | 99.92 (10) | C19—C18—C17 | 119.2 (2) |
| C5—P2—C4 | 104.86 (10) | C19—C18—H18A | 120.4 |
| C11—P2—Cu1 | 121.19 (7) | C17—C18—H18A | 120.4 |
| C5—P2—Cu1 | 108.62 (7) | C18—C19—C20 | 119.2 (2) |
| C4—P2—Cu1 | 117.95 (7) | C18—C19—H19A | 120.4 |
| C1—N1—C4 | 122.88 (19) | C20—C19—H19A | 120.4 |
| C1—N1—H1A | 118.6 | C19—C20—C21 | 117.91 (19) |
| C4—N1—H1A | 118.6 | C19—C20—C22 | 122.42 (19) |
| C33—N2—C34 | 117.71 (19) | C21—C20—C22 | 119.64 (18) |
| C33—N2—Cu1 | 129.25 (15) | N3—C21—C20 | 122.67 (19) |
| C34—N2—Cu1 | 112.74 (14) | N3—C21—C34 | 116.87 (18) |
| C17—N3—C21 | 117.82 (18) | C20—C21—C34 | 120.39 (18) |
| C17—N3—Cu1 | 128.72 (15) | N5—C22—C29 | 121.64 (18) |
| C21—N3—Cu1 | 113.35 (14) | N5—C22—C20 | 118.60 (18) |
| C29—N4—C28 | 117.24 (18) | C29—C22—C20 | 119.75 (18) |
| C22—N5—C23 | 117.20 (18) | N5—C23—C24 | 119.6 (2) |
| C35—N6—Cu1 | 171.4 (3) | N5—C23—C28 | 121.26 (19) |
| N1—C1—C2 | 119.23 (19) | C24—C23—C28 | 119.15 (19) |
| N1—C1—C3i | 123.28 (19) | C25—C24—C23 | 119.9 (2) |
| C2—C1—C3i | 117.44 (19) | C25—C24—H24A | 120.0 |
| C3—C2—C1 | 121.5 (2) | C23—C24—H24A | 120.0 |
| C3—C2—H2A | 119.2 | C24—C25—C26 | 120.8 (2) |
| C1—C2—H2A | 119.2 | C24—C25—H25A | 119.6 |
| C2—C3—C1i | 121.04 (19) | C26—C25—H25A | 119.6 |
| C2—C3—H3A | 119.5 | C27—C26—C25 | 121.1 (2) |
| C1i—C3—H3A | 119.5 | C27—C26—H26A | 119.5 |
| N1—C4—P2 | 115.05 (15) | C25—C26—H26A | 119.5 |
| N1—C4—H4A | 108.5 | C26—C27—C28 | 119.7 (2) |
| P2—C4—H4A | 108.5 | C26—C27—H27A | 120.1 |
| N1—C4—H4B | 108.5 | C28—C27—H27A | 120.1 |
| P2—C4—H4B | 108.5 | N4—C28—C27 | 119.6 (2) |
| H4A—C4—H4B | 107.5 | N4—C28—C23 | 121.04 (19) |
| C6—C5—C10 | 118.6 (2) | C27—C28—C23 | 119.3 (2) |
| C6—C5—P2 | 124.84 (18) | N4—C29—C22 | 121.61 (19) |
| C10—C5—P2 | 116.59 (18) | N4—C29—C30 | 118.87 (18) |
| C5—C6—C7 | 119.9 (3) | C22—C29—C30 | 119.51 (18) |
| C5—C6—H6A | 120.0 | C34—C30—C31 | 118.03 (19) |
| C7—C6—H6A | 120.0 | C34—C30—C29 | 119.96 (18) |
| C8—C7—C6 | 120.8 (3) | C31—C30—C29 | 121.99 (19) |
| C8—C7—H7A | 119.6 | C32—C31—C30 | 119.0 (2) |
| C6—C7—H7A | 119.6 | C32—C31—H31A | 120.5 |
| C7—C8—C9 | 119.7 (2) | C30—C31—H31A | 120.5 |
| C7—C8—H8A | 120.2 | C31—C32—C33 | 118.9 (2) |
| C9—C8—H8A | 120.2 | C31—C32—H32A | 120.6 |
| C8—C9—C10 | 120.3 (3) | C33—C32—H32A | 120.6 |
| C8—C9—H9A | 119.9 | N2—C33—C32 | 123.5 (2) |
| C10—C9—H9A | 119.9 | N2—C33—H33A | 118.3 |
| C9—C10—C5 | 120.8 (3) | C32—C33—H33A | 118.3 |
| C9—C10—H10A | 119.6 | N2—C34—C30 | 122.87 (19) |
| C5—C10—H10A | 119.6 | N2—C34—C21 | 116.53 (18) |
| C12—C11—C16 | 119.2 (2) | C30—C34—C21 | 120.54 (18) |
| C12—C11—P2 | 119.89 (17) | N6—C35—C36 | 179.3 (3) |
| C16—C11—P2 | 120.85 (17) | C35—C36—H36A | 109.5 |
| C13—C12—C11 | 120.5 (2) | C35—C36—H36B | 109.5 |
| C13—C12—H12A | 119.8 | H36A—C36—H36B | 109.5 |
| C11—C12—H12A | 119.8 | C35—C36—H36C | 109.5 |
| C14—C13—C12 | 120.1 (3) | H36A—C36—H36C | 109.5 |
| C14—C13—H13A | 119.9 | H36B—C36—H36C | 109.5 |
| C12—C13—H13A | 119.9 | F1—B1—F4 | 111.9 (3) |
| C13—C14—C15 | 120.1 (2) | F1—B1—F2 | 110.7 (4) |
| C13—C14—H14A | 120.0 | F4—B1—F2 | 108.9 (3) |
| C15—C14—H14A | 120.0 | F1—B1—F3 | 103.6 (3) |
| C14—C15—C16 | 120.2 (2) | F4—B1—F3 | 110.1 (3) |
| C14—C15—H15A | 119.9 | F2—B1—F3 | 111.5 (3) |
| Symmetry codes: (i) −x, −y+1, −z. |
| Cu1—N2 | 2.0828 (19) | Cu1—N6 | 2.013 (2) |
| Cu1—N3 | 2.0628 (18) | Cu1—P2 | 2.1883 (6) |
This work was supported by the Natural Science Foundation of Guangxi Province (grant No. 0832100) and the Program for Excellent Talents in Guangxi Higher Education Institutions.
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π–π Stacking interactions between aromatic systems have been reported in many fields of chemistry and biochemistry (Aucott et al., 2002; Chipot et al., 1996). They play an important role in the structures of biological macromolecules (Saenger, 1984). For example, they are exploited for the intercalation of drugs into DNA (Waters, 2002). Information on the structures of copper(I) compouds with π–π stacking Interactions, which lead to infinite linear chain, continues to be reported (Wang et al., 2008). In the title binuclear copper(I) complex, the N,N'-bis[(diphenylphosphanyl)methyl]benzene-1,4-diamine ligand, lying on an inversion center, links two CuI atoms through the P atoms (Fig.1). The CuI atom has a distorted tetrahedral coordination geometry. The structure involves intra- and intermolecular π–π interactions with centroid–centroid distances of 3.459 (3) and 3.506 (3) Å, respectively. The intermolecular π–π interactions connect the complex molecules into a one-dimensional supramolecular structure.