Information card for entry 7030786

Structure parameters

• Formula: C22 H37 As4 Cl9 Nb2 O
• Calculated formula: C22 H37 As4 Cl9 Nb2 O
• SMILES: [Nb]12([As](C)(C)c3ccccc3[As]1(C)C)([As](c1c([As]2(C)C)cccc1)(C)C)(Cl)(Cl)(Cl)Cl.[Nb](Cl)(Cl)(Cl)(Cl)(Cl)OCC
• Title of publication: Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.
• Authors of publication: Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9557 - 9566
• a: 12.144 ± 0.002 Å
• b: 12.638 ± 0.003 Å
• c: 14.139 ± 0.003 Å
• α: 108.806 ± 0.002°
• β: 108.034 ± 0.002°
• γ: 102.051 ± 0.002°
• Cell volume: 1834.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No