Information card for entry 7050079

Structure parameters

• Chemical name: fac-trichloro-cis-bis(5-(4'pyridyl)-10,15,20-trisphenyl-porphyrin)-nitrosyl- ruthenium(II) chloroform n-hexane solvate
• Formula: C91.5 H67.5 Cl10.5 N11 O Ru
• Calculated formula: C91.5 H67.5 Cl10.5 N11 O Ru
• 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: 16.978 ± 0.004 Å
• b: 14.283 ± 0.004 Å
• c: 73.283 ± 0.01 Å
• α: 90°
• β: 91.28 ± 0.03°
• γ: 90°
• Cell volume: 17766 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.2747
• Weighted residual factors for all reflections included in the refinement: 0.3129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No