Information card for entry 2228450

Structure parameters

• Chemical name: Tetraaquadiazidocobalt(II) 3,3'-dicarboxylato-1,1'-ethylenedipyridinium
• Formula: C14 H20 Co N8 O8
• Calculated formula: C14 H20 Co N8 O8
• SMILES: C(=O)(c1ccc[n+](c1)CC[n+]1cc(C(=O)[O-])ccc1)[O-].[OH2][Co](N=N#N)(N=N#N)([OH2])([OH2])[OH2]
• Title of publication: Tetraaquadiazidocobalt(II) 3,3'-dicarboxylato-1,1'-ethylenedipyridinium
• Authors of publication: Wen, Yan-Qing; Tian, Chun-Yan; Gao, En-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1566 - m1567
• a: 7.4309 ± 0.0006 Å
• b: 7.7507 ± 0.0007 Å
• c: 8.5582 ± 0.0007 Å
• α: 95.463 ± 0.002°
• β: 90.586 ± 0.002°
• γ: 95.011 ± 0.002°
• Cell volume: 488.71 ± 0.07 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: 0.0237
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes