Information card for entry 2224741

Structure parameters

• Chemical name: Bis[tris(ethane-1,2-diamine)nickel(II)] octacyanidomolybdate(IV) pentahydrate
• Formula: C20 H58 Mo N20 Ni2 O5
• Calculated formula: C20 H58 Mo N20 Ni2 O5
• SMILES: [Ni]123([NH2]CC[NH2]1)([NH2]CC[NH2]3)[NH2]CC[NH2]2.[Ni]123([NH2]CC[NH2]2)([NH2]CC[NH2]3)[NH2]CC[NH2]1.[Mo](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O.O
• Title of publication: Bis[tris(ethane-1,2-diamine)nickel(II)] octacyanidomolybdate(IV) pentahydrate
• Authors of publication: Jun, Qian; Zhang, Chi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m24 - m25
• a: 13.384 ± 0.003 Å
• b: 16.465 ± 0.003 Å
• c: 21.094 ± 0.006 Å
• α: 90°
• β: 124.45 ± 0.02°
• γ: 90°
• Cell volume: 3833.2 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0315
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes