Information card for entry 4309766

Structure parameters

• Formula: C86 H102 Mn N8 Ni O7 S4
• Calculated formula: C86 H98 Mn N8 Ni O7 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: 14.647 ± 0.003 Å
• b: 16.688 ± 0.003 Å
• c: 19.783 ± 0.004 Å
• α: 90.842 ± 0.003°
• β: 98.92 ± 0.003°
• γ: 113.425 ± 0.003°
• Cell volume: 4367.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1803
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No