Information card for entry 4310236

Structure parameters

• Chemical name: bis[trans,cis,cis-dichloro-dicarbonyl- bis(5,10-bis(3'-pyridyl)-15,20-diphenyl-porphyrin)- -ruthenium(II)] n-hexane chloroform solvate
• Formula: C99 H79 Cl10 N12 O4 Ru2
• Calculated formula: C99 H79 Cl10 N12 O4 Ru2
• Title of publication: Pyridylporphyrin Metallacycles with a Slipped Cofacial Geometry: Spectroscopic, X-ray, and Photophysical Characterization
• Authors of publication: Elisabetta Iengo; Ennio Zangrando; Marco Bellini; Enzo Alessio; Anna Prodi; Claudio Chiorboli; Franco Scandola
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9752 - 9762
• a: 19.22 ± 0.005 Å
• b: 17.341 ± 0.005 Å
• c: 15.145 ± 0.004 Å
• α: 90°
• β: 107.72 ± 0.03°
• γ: 90°
• Cell volume: 4808 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2455
• Weighted residual factors for all reflections included in the refinement: 0.2557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No