Information card for entry 7203434

Structure parameters

• Formula: C12 H16 Ca Co2 N4 O16
• Calculated formula: C12 H16 Ca Co2 N4 O16
• SMILES: C1(=O)O[Co]23([NH2]CC[NH2]2)(OC1=O)OC(=O)C(O3)=O.[Ca+2].C1(=O)C(=O)O[Co]23([NH2]CC[NH2]2)(O1)OC(=O)C(=O)O3
• Title of publication: Coordination bonds and strong hydrogen bonds giving a framework material based on a 4- and 8-connected net in [Ca[Co(en)(oxalato)<small>₂</small>]<small>₂</small>]<small>_<i>n</i></small>
• Authors of publication: Cédric Borel; Mikael Håkansson; Lars Öhrström
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 666
• a: 8.898 ± 0.003 Å
• b: 8.898 ± 0.003 Å
• c: 7.679 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 608 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No