Information card for entry 4309767

Structure parameters

• Formula: C50 H30 Mn N6 Ni S4
• Calculated formula: C50 H30 Mn N6 Ni S4
• Title of publication: Structure and Magnetic Properties of (meso-Tetraphenylporphinato)manganese(III) Bis(dithiolato)nickelates
• Authors of publication: Louise N. Dawe; Jesse Miglioi; Laura Turnbow; Michelle L. Taliaferro; William W. Shum; Joshua D. Bagnato; Lev N. Zakharov; Arnold L. Rheingold; Atta M. Arif; Marc Fourmigué; Joel S. Miller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7530 - 7539
• a: 10.656 ± 0.0003 Å
• b: 10.7154 ± 0.0004 Å
• c: 10.8898 ± 0.0002 Å
• α: 97.8288 ± 0.0018°
• β: 117.355 ± 0.0016°
• γ: 98.5935 ± 0.0015°
• Cell volume: 1061.86 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0411
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No