Information card for entry 7212353

Structure parameters

• Formula: C20 H28 N8 Na2 Ni O6
• Calculated formula: C20 H28 N8 Na2 Ni O6
• SMILES: [Ni]12(OC(=CC(=[O]1)C)C)(N=C=NC#N)(OC(=CC(=[O]2)C)C)N=C=NC#N.[Na+].O=CN(C)C.[Na+].O=CN(C)C
• Title of publication: Solvent effects on the assembly of Ni/Na coordination polymers from reactions of [Ni(acac)2(H2O)2] with sodium dicyanamide
• Authors of publication: Chen, Xi; Qiao, Shan-Bao; Liu, Dong; Lang, Jian-Ping; Zhang, Yong; Xu, Cheng; Ma, Shu-Lin
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1610
• a: 7.9185 ± 0.0019 Å
• b: 9.3721 ± 0.0017 Å
• c: 9.958 ± 0.002 Å
• α: 66.366 ± 0.011°
• β: 89.136 ± 0.018°
• γ: 87.928 ± 0.017°
• Cell volume: 676.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No