Information card for entry 4322844

Structure parameters

• Formula: C36 H42 Fe N10 Ni O P
• Calculated formula: C72 H84 Fe2 N20 Ni2 O4 P2
• Title of publication: Structure and Magnetic Properties of One-Dimensional PPh4[Ni(pn)2][M(CN)6].H2O (M = Fe, Cr, Co) Bimetallic Assemblies
• Authors of publication: Masaaki Ohba; Naoki Usuki; Nobuo Fukita; Hisashi Ōkawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3349 - 3354
• a: 12.958 ± 0.003 Å
• b: 8.437 ± 0.003 Å
• c: 17.25 ± 0.002 Å
• α: 90°
• β: 99.96 ± 0.01°
• γ: 90°
• Cell volume: 1857.5 ± 0.8 ų
• Cell temperature: 20 K
• Ambient diffraction temperature: 20 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 4.4
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No