Information card for entry 4345212

Structure parameters

• Formula: C82 H66 Cl0 Ga2 N10 O6 P2
• Calculated formula: C82 H66 Ga2 N10 O6 P2
• SMILES: c12=C(c3[n]4[Ga]567([n]2c(=Cc2ccc(=C(c8ccc(C)cc8)c8n7c(cc8)C(=c4cc3)P(=O)(O[Ga]347([n]8c9=C(c%10n7c(C(=c7[n]4c(C(=c4ccc(=Cc8cc9)[n]34)c3ccc(C)cc3)cc7)P(=O)(O5)OCC)cc%10)c3ccc(C)cc3)[n]3ccccc3)OCC)[n]62)cc1)[n]1ccccc1)c1ccc(C)cc1
• 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: 13.2362 ± 0.0009 Å
• b: 16.2431 ± 0.001 Å
• c: 19.9654 ± 0.0013 Å
• α: 90°
• β: 96.265 ± 0.001°
• γ: 90°
• Cell volume: 4266.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No