Information card for entry 7004006

Structure parameters

• Formula: C24 H56 N2 Ni O0.31 P4 Se4
• Calculated formula: C24 H56 N2 Ni O0.316 P4 Se4
• Title of publication: Ligand influence on the formation of P/Se semiconductor materials from metal‒organic complexes
• Authors of publication: Panneerselvam, Arunkumar; Nguyen, Chinh Q.; Waters, John; Malik, Mohammad A.; O'Brien, Paul; Raftery, James; Helliwell, Madeleine
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4499 - 4506
• a: 13.254 ± 0.004 Å
• b: 21.293 ± 0.004 Å
• c: 13.585 ± 0.003 Å
• α: 90°
• β: 112.961 ± 0.005°
• γ: 90°
• Cell volume: 3530.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No