Information card for entry 7110051

Structure parameters

• Formula: C28 H30 Co N6 O16
• Calculated formula: C28 H22 Co N6 O16
• SMILES: C1(c2ccc(C3=[NH+]CCN3)cc2)=[NH+]CCN1.c12cc(cc3[n]1[Co]14(OC2=O)([n]2c(cc(cc2C(=O)O4)C(=O)O)C(=O)O1)OC3=O)C(=O)O.O.O.O.O
• Title of publication: Molecular tectonics: from crystals to crystals of crystals
• Authors of publication: Gabriela Marinescu; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11209
• a: 19.2011 ± 0.0005 Å
• b: 9.647 ± 0.0003 Å
• c: 17.1082 ± 0.0006 Å
• α: 90°
• β: 107.494 ± 0.004°
• γ: 90°
• Cell volume: 3022.43 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.122
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No