Information card for entry 4500476

Structure parameters

• Formula: C14 H20 Co N10 O8
• Calculated formula: C14 H20 Co N10 O8
• SMILES: c1nc(N)c2c(n1)n(cn2)CC(=O)O[Co](OC(=O)Cn1c2c(c(ncn2)N)nc1)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Crystallographic Signatures of Cobalt Coordination with Modified Adenine Nucleobase Containing Carboxyl Group Pendants
• Authors of publication: Mishra, Ashutosh Kumar; Kumar, Jitendra; Khanna, Shruti; Verma, Sandeep
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1623
• a: 7.01 ± 0.005 Å
• b: 7.988 ± 0.004 Å
• c: 9.281 ± 0.005 Å
• α: 86.344 ± 0.005°
• β: 83.185 ± 0.005°
• γ: 69.55 ± 0.003°
• Cell volume: 483.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No