Information card for entry 4310361

Structure parameters

• Formula: C45 H29 Cl2 N5 Ni
• Calculated formula: C45 H29 Cl2 N5 Ni
• Title of publication: Synthesis of New Porphyrins with Peripheral Conjugated Chelates and Their Use for the Preparation of Porphyrin Dimers Linked by Metal Ions
• Authors of publication: Sébastien Richeter; Christophe Jeandon; Jean-Paul Gisselbrecht; Roland Graff; Romain Ruppert; Henry J. Callot
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 251 - 263
• a: 10.2958 ± 0.0002 Å
• b: 10.5646 ± 0.0003 Å
• c: 16.7828 ± 0.0005 Å
• α: 102.178 ± 0.005°
• β: 92.441 ± 0.005°
• γ: 97.38 ± 0.005°
• Cell volume: 1765.04 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections: 2.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No