Information card for entry 7712634

Structure parameters

• Common name: RuDTolP(CO)H2O
• Chemical name: aqua-[5,15-bis(4-methylphenyl)porphyrinato]-carbonyl-ruthenium chloroform solvate
• Formula: C37 H26 Cl6 N4 O2 Ru
• Calculated formula: C37 H26 Cl6 N4 O2 Ru
• Title of publication: Supramolecular Hybrids Based on Ru(II) Porphyrin and Octahedral Mo(II) Iodide Cluster
• Authors of publication: Volostnykh, Marina V.; Kirakosyan, Gayane; Sinelshchikova, Anna A.; Loboda, Polina; Dorovatovskii, Pavel; Maxim, Mihailov; Tsivadze, Aslan Yu; Sokolov, Maksim Nailyevich; Gorbunova, Yulia G.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 21.6281 ± 0.0011 Å
• b: 9.4437 ± 0.0004 Å
• c: 19.2876 ± 0.0009 Å
• α: 90°
• β: 114.108 ± 0.001°
• γ: 90°
• Cell volume: 3595.9 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No