Information card for entry 4345563

Structure parameters

• Formula: C38 H33 Cl In N4 O3 P
• Calculated formula: C38 H33 Cl In N4 O3 P
• Title of publication: Gallium(III) and Indium(III) Complexes with meso-Monophosphorylated Porphyrins: Synthesis and Structure. A First Example of Dimers Formed by the Self-Assembly of meso-Porphyrinylphosphonic Acid Monoester.
• Authors of publication: Enakieva, Yulia Yu; Volostnykh, Marina V.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Bessmertnykh-Lemeune, Alla G; Stern, Christine; Guilard, Roger
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 3055 - 3070
• a: 12.995 ± 0.003 Å
• b: 16.152 ± 0.004 Å
• c: 16.714 ± 0.004 Å
• α: 86.087 ± 0.004°
• β: 78.858 ± 0.004°
• γ: 88.057 ± 0.004°
• Cell volume: 3433.3 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No