Information card for entry 4319356

Structure parameters

• Formula: C38 H70 Cl2 N14 Ni3 O10 Se4
• Calculated formula: C38 H70 Cl2 N14 Ni3 O10 Se4
• SMILES: C(N(C)C)=[O][Ni]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)Cl.[Ni]12([Se]C(=C(C#N)[Se]1)C#N)[Se]C(=C(C#N)[Se]2)C#N.C(N(C)C)=[O][Ni]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)Cl
• Title of publication: Syntheses and Characterization of the Metal Maleonitrilediselenolates [K([2.2.2]-cryptand)]2[M(Se2C2(CN)2)2] (M = Ni, Pd, Pt) and [Ni(dmf)5Cl]2[Ni(Se2C2(CN)2)2]
• Authors of publication: Craig C. McLauchlan; Scott D. Robowski; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1372 - 1375
• a: 8.842 ± 0.0018 Å
• b: 13.161 ± 0.003 Å
• c: 13.831 ± 0.003 Å
• α: 110.08 ± 0.03°
• β: 95.23 ± 0.03°
• γ: 93.72 ± 0.03°
• Cell volume: 1497.4 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No