Information card for entry 7050078

Structure parameters

• Chemical name: cis-nitrosyl-(5-(4'pyridyl)-10,15,20-trisphenyl-porphyrin)- tetrachloro-ruthenate(III) tetrabutylamonium dichloroform solvate
• Formula: C61 H67 Cl10 N7 O Ru
• Calculated formula: C61 H67 Cl10 N7 O Ru
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)(N=O)[n]1ccc(C2=c3nc(cc3)C(=c3[nH]c(=C(c4nc(=C(c5[nH]c2cc5)c2ccccc2)cc4)c2ccccc2)cc3)c2ccccc2)cc1.[N+](CCCC)(CCCC)(CCCC)CCCC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 10.833 ± 0.003 Å
• b: 13.688 ± 0.004 Å
• c: 22.584 ± 0.004 Å
• α: 96.46 ± 0.02°
• β: 96.06 ± 0.03°
• γ: 106.02 ± 0.02°
• Cell volume: 3165.4 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1053
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No