Information card for entry 2223114

Structure parameters

• Chemical name: {μ-<i>trans</i>-<i>N</i>,<i>N</i>'-Bis[(diphenylphosphanyl)methyl]benzene- 1,4-diamine-κ^2^<i>P</i>:<i>P</i>'}bis{(acetonitrile-κ<i>N</i>)[dipyrido[3,2- <i>a</i>:2',3'-<i>c</i>]phenazine-κ^2^<i>N</i>^4^,<i>N</i>^5^]copper(I)} bis(tetrafluoridoborate)
• Formula: C72 H56 B2 Cu2 F8 N12 P2
• Calculated formula: C72 H56 B2 Cu2 F8 N12 P2
• SMILES: [B](F)(F)(F)[F-].[n]12cccc3c4nc5c(nc4c4c([n]([Cu]2([N]#CC)[P](CNc2ccc(cc2)NC[P](c2ccccc2)(c2ccccc2)[Cu]2([n]6cccc7c8nc9c(nc8c8ccc[n]2c8c67)cccc9)[N]#CC)(c2ccccc2)c2ccccc2)ccc4)c13)cccc5.[B](F)(F)(F)[F-]
• Title of publication: {μ-<i>trans</i>-<i>N</i>,<i>N</i>'-Bis[(diphenylphosphanyl)methyl]benzene-1,4-diamine-κ^2^<i>P</i>:<i>P</i>'}bis{(acetonitrile-κ<i>N</i>)[dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine-κ^2^<i>N</i>^4^,<i>N</i>^5^]copper(I)} bis(tetrafluoridoborate)
• Authors of publication: Huang, Ting-Hong; Jiang, Xuan-Feng; Gui, Liu-Cheng; Wang, Xiu-Jian; Cen, Zhong-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1085
• a: 12.1074 ± 0.0003 Å
• b: 12.3354 ± 0.0002 Å
• c: 12.6262 ± 0.0003 Å
• α: 84.905 ± 0.001°
• β: 68.25 ± 0.001°
• γ: 66.732 ± 0.001°
• Cell volume: 1605.35 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes