Information card for entry 4314370

Structure parameters

• Chemical name: Chlorozinc 6,11,16,21-tetraphenyl-22-acetoxybenziporphyrin dichloromethane-d2 disolvate
• Formula: C50 H32 Cl5 D4 N3 O2 Zn
• Calculated formula: C50 H36 Cl5 N3 O2 Zn
• Title of publication: Core-Modified Porphyrin Incorporating a Phenolate Donor. Characterization of Pd(II), Ni(II), Zn(II), Cd(II), and Fe(III) Complexes
• Authors of publication: Marcin Stępień; Lechosław Latos-Grażyński
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6183 - 6193
• a: 10.0525 ± 0.0005 Å
• b: 17.7456 ± 0.0008 Å
• c: 12.3798 ± 0.0007 Å
• α: 90°
• β: 102.527 ± 0.005°
• γ: 90°
• Cell volume: 2155.83 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.324
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No