Information card for entry 7004008

Structure parameters

• Formula: C24 H56 N2 Ni P4 Se4
• Calculated formula: C24 H56 N2 Ni P4 Se4
• SMILES: C(C)(C)P1(C(C)C)=NP(C(C)C)(C(C)C)=[Se][Ni]2([Se]1)[Se]=P(C(C)C)(C(C)C)N=P(C(C)C)(C(C)C)[Se]2
• 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: 9.2888 ± 0.0013 Å
• b: 12.9132 ± 0.0018 Å
• c: 16.302 ± 0.002 Å
• α: 79.058 ± 0.002°
• β: 78.221 ± 0.002°
• γ: 69.895 ± 0.002°
• Cell volume: 1782.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1051
• 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