Information card for entry 8102383

Structure parameters

• Formula: C9 H28 Co N6 O10
• Calculated formula: C9 H28 Co N6 O10
• SMILES: [Co]123(OC(=O)c4[n]1[nH]c(c4)C(=O)[O-])([NH2]CC[NH2]2)[NH2]CC[NH2]3.O.O.O.O.O.O
• Title of publication: Crystal structure of (3,5-pyrazoledicarboxylato)-bis(diethylenediamine)cobalt(II) hexahydrate, [Co(C5H2N2O4)(C2H8N2)2] · 6H2O
• Authors of publication: Kai Shi; Hong-Jun Bai; Zeng-Lin Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 2
• Pages of publication: 191
• a: 7.2589 ± 0.0008 Å
• b: 11.7832 ± 0.0012 Å
• c: 21.742 ± 0.002 Å
• α: 90°
• β: 91.628 ± 0.002°
• γ: 90°
• Cell volume: 1858.9 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No