Information card for entry 2224386

Structure parameters

• Chemical name: Bis(tripyrazol-1-ylmethane)nickel(II) tetracyanidonickelate(II) dihydrate
• Formula: C24 H24 N16 Ni2 O2
• Calculated formula: C24 H24 N16 Ni2 O2
• SMILES: c1ccn2[n]1[Ni]134([n]5cccn5C(n5ccc[n]15)n1ccc[n]31)[n]1cccn1C2n1ccc[n]41.N#C[Ni](C#N)(C#N)C#N.O.O
• Title of publication: Bis(tripyrazol-1-ylmethane)nickel(II) tetracyanidonickelate(II) dihydrate
• Authors of publication: Lyubartseva, Ganna; Parkin, Sean
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1530
• a: 8.484 ± 0.0002 Å
• b: 8.7355 ± 0.0002 Å
• c: 10.7522 ± 0.0003 Å
• α: 75.5129 ± 0.0011°
• β: 75.2713 ± 0.0012°
• γ: 89.2534 ± 0.0012°
• Cell volume: 745.09 ± 0.03 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0539
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes