Information card for entry 7701417

Structure parameters

• Chemical name: {[Co(dca)2(NH2pyz)2].H2O}n
• Formula: C12 H12 Co N12 O
• Calculated formula: C12 H12 Co N12 O
• Title of publication: Influence of the pyrazine substituent on the structure and magnetic properties of dicyanamide-bridged cobalt(II) complexes
• Authors of publication: Palion-Gazda, Joanna; Choroba, Katarzyna; Machura, Barbara; Świtlicka, Anna; Kruszyński, Rafał; Cano, Joan; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 13.5668 ± 0.0006 Å
• b: 12.9364 ± 0.0006 Å
• c: 9.2522 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1623.81 ± 0.13 ų
• Cell temperature: 295 ± 0.2 K
• Ambient diffraction temperature: 295 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No