Information card for entry 7004007

Structure parameters

• Formula: C12 H28 Ni P2 Se4
• Calculated formula: C12 H28 Ni P2 Se4
• SMILES: C(C)(C)P1(=[Se][Ni]2([Se]=P(C(C)C)(C(C)C)[Se]2)[Se]1)C(C)C
• 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: 9.2865 ± 0.0009 Å
• b: 10.9349 ± 0.001 Å
• c: 10.1364 ± 0.001 Å
• α: 90°
• β: 97.904 ± 0.002°
• γ: 90°
• Cell volume: 1019.54 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No