Information card for entry 7050080

Structure parameters

• Chemical name: (5,10,15,20-(4'pyridyl)-porphyrin)-tetra-(tetrachloro-nitrosyl-ruthenate(III)) tetra(tetrabutylamonium) bis(nitromethane) diethylether solvate
• Formula: C108 H181 Cl16 N18 O8.5 Ru4
• Calculated formula: C108 H181 Cl16.41 N17.59 O8.09 Ru4
• Title of publication: Pyridylporphyrins peripherally coordinated to ruthenium-nitrosyls, including the water-soluble Na4[Zn·4′TPyP{RuCl4(NO)}4]: synthesis and structural characterization
• Authors of publication: Gianferrara, Teresa; Serli, Barbara; Zangrando, Ennio; Iengo, Elisabetta; Alessio, Enzo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 895
• a: 38.252 ± 0.006 Å
• b: 8.936 ± 0.003 Å
• c: 40.475 ± 0.006 Å
• α: 90°
• β: 103.49 ± 0.03°
• γ: 90°
• Cell volume: 13453 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No