Information card for entry 7204754

Structure parameters

• Formula: C36 H84 Cu3 N3 P6 Se6
• Calculated formula: C36 H84 Cu3 N3 P6 Se6
• SMILES: C(C)(C)P1(C(C)C)N=P(C(C)C)(C(C)C)[Se]2[Cu]([Se]=1)[Se]1[Cu]([Se]=P(C(C)C)(C(C)C)N=P1(C(C)C)C(C)C)[Se]1[Cu]2[Se]=P(C(C)C)(C(C)C)N=P1(C(C)C)C(C)C
• Title of publication: The synthesis, X-ray structures and CVD studies of some group 11 complexes of iminobis(diisopropylphosphine selenides) and their use in the deposition of I/III/VI photovoltaic materials
• Authors of publication: Afzaal, Mohammad; Crouch, David J.; O'Brien, Paul; Raftery, James; Skabara, Peter J.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2004
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 233
• a: 13.178 ± 0.008 Å
• b: 30.108 ± 0.017 Å
• c: 14.691 ± 0.009 Å
• α: 90°
• β: 109.423 ± 0.012°
• γ: 90°
• Cell volume: 5497 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No