Information card for entry 4350521

Structure parameters

• Chemical name: 5,10,15,20-tetraphenyl-2-thia-21-carbaporphyrinato chlorocadmium(II) dichloromethane solvate, pentane hemisolvate
• Formula: C47.5 H36 Cd Cl3 N3 S
• Calculated formula: C48.11 H30 Cd Cl3 N3 S
• Title of publication: Cadmium(II) and zinc(II) complexes of S-confused thiaporphyrin.
• Authors of publication: Chmielewski, Michał J; Pawlicki, Miłosz; Sprutta, Natasza; Szterenberg, Ludmiła; Latos-Grazyński, Lechosław
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8664 - 8671
• a: 9.6718 ± 0.0019 Å
• b: 14.229 ± 0.003 Å
• c: 15.428 ± 0.003 Å
• α: 76.06 ± 0.03°
• β: 86.31 ± 0.03°
• γ: 76.17 ± 0.03°
• Cell volume: 2000.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1652
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No