Information card for entry 8106820

Structure parameters

• Chemical name: (tri-aqua-(1,10-phenanthroline)-dihydrogen 3,3',3''-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoato)- cobalt(II) dihydrogen 3,3',3''-(2,4,6-trioxo-1,3,5-triazinane- 1,3,5-triyl)tripropanoate.
• Formula: C72 H82 Co2 N16 O42
• Calculated formula: C72 H82 Co2 N16 O42
• Title of publication: Crystal structure of triaqua-(1,10-phenanthroline)-(dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoato) cobalt(II)dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoate, C72H82Co2N16O42
• Authors of publication: He, Guang-Jie; Ni, Tian-Jun; Yang, Zhi-Jun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 185 - 189
• a: 15.7653 ± 0.0019 Å
• b: 16.955 ± 0.002 Å
• c: 18.838 ± 0.002 Å
• α: 70.355 ± 0.002°
• β: 87.782 ± 0.002°
• γ: 63.737 ± 0.002°
• Cell volume: 4216.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.147
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No