Information card for entry 4500478

Structure parameters

• Formula: C17 H18 Co N10 O5
• Calculated formula: C17 H18 Co N10 O5
• 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: 8.451 ± 0.003 Å
• b: 9.032 ± 0.004 Å
• c: 13.264 ± 0.005 Å
• α: 79.914 ± 0.006°
• β: 89.183 ± 0.007°
• γ: 81.247 ± 0.007°
• Cell volume: 985.1 ± 0.7 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: 0.0858
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No