Information card for entry 4505355

Structure parameters

• Chemical name: Methyltriphenylphosphonium tris(dicyanamido)nickelate(II)
• Formula: C25 H18 N9 Ni P
• Calculated formula: C25 H18 N9 Ni P
• Title of publication: Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks
• Authors of publication: van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 503
• a: 13.8039 ± 0.0003 Å
• b: 16.8679 ± 0.0002 Å
• c: 20.7639 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4834.72 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No