Information card for entry 7012350

Structure parameters

• Chemical name: Bismuth[tetra(p-chlorophenyl)porphyrin] nitrate dichloromethane solvate
• Formula: C45 H26 Bi Cl6 N5 O3
• Calculated formula: C45 H26 Bi Cl6 N5 O3
• SMILES: [Bi]12345(n6c7=C(c8[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c6cc7)c1ccc(Cl)cc1)cc2)c1ccc(Cl)cc1)cc3)c1ccc(Cl)cc1)cc8)c1ccc(Cl)cc1)([O]=N(=O)O4)[O]1=N(=[O][Bi]2341[n]1c6=C(c7n4c(C(=c4[n]3c(C(=c3n2c(=C(c1cc6)c1ccc(Cl)cc1)cc3)c1ccc(Cl)cc1)cc4)c1ccc(Cl)cc1)cc7)c1ccc(Cl)cc1)O5.ClCCl.ClCCl
• Title of publication: Bismuth porphyrin complexes: syntheses and structural studies
• Authors of publication: Boitrel, Bernard; Breede, Matthis; Brothers, Penelope J.; Hodgson, Michael; Michaudet, Lydie; Rickard, Clifton E. F.; Al Salim, Najeh
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1803
• a: 13.862 ± 0.0002 Å
• b: 17.1885 ± 0.0002 Å
• c: 21.1094 ± 0.0002 Å
• α: 93.097 ± 0.001°
• β: 102.18 ± 0.01°
• γ: 91.571 ± 0.001°
• Cell volume: 4905.4 ± 0.2 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: 0.0805
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No