Information card for entry 4308409

Structure parameters

• Formula: C16 H44 Mo N16 Ni2 O6
• Calculated formula: C16 H44 Mo N16 Ni2 O6
• SMILES: C(#N)[Mo](C#N)(C#N)(C#[N][Ni]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)[OH2])(C#N)(C#N)(C#N)C#[N][Ni]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)[OH2].O.O.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: 17.0725 ± 0.0004 Å
• b: 11.0054 ± 0.0003 Å
• c: 17.5905 ± 0.0005 Å
• α: 90°
• β: 108.695 ± 0.001°
• γ: 90°
• Cell volume: 3130.69 ± 0.14 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No