Information card for entry 7702077

Structure parameters

• Common name: [{NbOCl3(DEPE)2}(DEPE)]
• Formula: C30 H72 Cl6 Nb2 O2 P6
• Calculated formula: C30 H72 Cl6 Nb2 O2 P6
• Title of publication: Niobium tetrahalide complexes with neutral diphosphine ligands.
• Authors of publication: Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8192 - 8200
• a: 9.8162 ± 0.0003 Å
• b: 11.6449 ± 0.0003 Å
• c: 20.2185 ± 0.0014 Å
• α: 90°
• β: 95.496 ± 0.007°
• γ: 90°
• Cell volume: 2300.53 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No