Information card for entry 4308407

Structure parameters

• Formula: C18 H46 Mo N18 Ni2 O3
• Calculated formula: C18 H46 Mo N18 Ni2 O3
• SMILES: [Mo](C#[N][Ni]12([OH2])([NH2]CC[NH2]1)[NH2]CC[NH2]2)(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.[Ni]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O.O
• Title of publication: Synthesis and Structural Characterization of Bi- and Trimetallic Octacyanometalate(IV) Complexes: [Δ,Λ-MII(en)3][cis-MII(en)2(OH2)][MIV(CN)8]·2H2O and [cis-MII(en)2(OH2)]2[(μ-NC)2MIV(CN)6]·4H2O (MII= Mn, Co, Ni; MIV= Mo, W)
• Authors of publication: Withers, Jeffrey R.; Ruschmann, Chad; Bojang, Pasano; Parkin, Sean; Holmes, Stephen M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 352 - 358
• a: 11.5576 ± 0.0004 Å
• b: 14.9065 ± 0.0006 Å
• c: 18.7669 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3233.2 ± 0.2 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No