Information card for entry 7201612

Structure parameters

• Formula: C46 H40 Co2 N8 O20
• Calculated formula: C46 H40 Co2 N8 O20
• SMILES: c1ccc2c3c4c(c5c2nccn5)ccc[n]4[Co]2([n]13)(OC(=O)c1cc(cc(C(=O)O[Co]3([n]4cccc5c4c4c(ccc[n]34)c3nccnc53)(OC(=O)c3cc(C(=O)O)cc(C(=O)O2)c3)([OH2])[OH2])c1)C(=O)O)([OH2])[OH2].O.O.O.O
• Title of publication: Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands
• Authors of publication: Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 184
• a: 7.6519 ± 0.0015 Å
• b: 11.885 ± 0.002 Å
• c: 13.594 ± 0.003 Å
• α: 69.47 ± 0.03°
• β: 79.83 ± 0.03°
• γ: 82.01 ± 0.03°
• Cell volume: 1135.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0633
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No