Information card for entry 4332477

Structure parameters

• Formula: C8 H12 N7 Ni0.5
• Calculated formula: C8 H12 N7 Ni0.5
• Title of publication: Methylpyrazole-Capped Two-Dimensional Supramolecular M(II) (M = Mn, Ni, Co) Assemblies Constructed by Covalent and Noncovalent Interactions: Uncommon Coordination Modes of Methylpyrazoles and Magnetic Properties
• Authors of publication: Choi, Da Hye; Yoon, Jung Hee; Lim, Jeong Hak; Kim, Hyoung Chan; Hong, Chang Seop
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5947 - 5952
• a: 9.034 ± 0.0017 Å
• b: 9.0935 ± 0.0007 Å
• c: 14.314 ± 0.003 Å
• α: 90°
• β: 107.954 ± 0.017°
• γ: 90°
• Cell volume: 1118.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No