Information card for entry 2203935

Structure parameters

• Chemical name: Di-μ-chloro-bis[dichlorobis(acetonitrile)niobium] acetonitorile disolvate
• Formula: C12 H18 Cl6 N6 Nb2
• Calculated formula: C12 H18 Cl6 N6 Nb2
• SMILES: C(#[N][Nb]12([N]#CC)(Cl)([Cl][Nb]2([N]#CC)([N]#CC)([Cl]1)(Cl)Cl)Cl)C.C(#N)C.C(#N)C
• Title of publication: Di-μ-chloro-bis[diacetonitriledichloroniobium(III)] acetonitrile disolvate
• Authors of publication: Kakeya, Masaki; Fujihara, Takashi; Nagasawa, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m893 - m894
• a: 8.331 ± 0.002 Å
• b: 8.997 ± 0.002 Å
• c: 9.341 ± 0.002 Å
• α: 105.851 ± 0.004°
• β: 108.501 ± 0.004°
• γ: 94.671 ± 0.004°
• Cell volume: 627.8 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes