Information card for entry 7030788

Structure parameters

• Formula: C18 H48 Cl6 Nb2 O2 P6
• Calculated formula: C18 H48 Cl6 Nb2 O2 P6
• SMILES: C1C[P](C)(C)[Nb](=O)([P]1(C)C)([P](CC[P](C)(C)[Nb]1(=O)([P](C)(C)CC[P]1(C)C)(Cl)(Cl)Cl)(C)C)(Cl)(Cl)Cl
• 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: 9.096 ± 0.005 Å
• b: 10.987 ± 0.006 Å
• c: 18.064 ± 0.011 Å
• α: 90°
• β: 90.158 ± 0.015°
• γ: 90°
• Cell volume: 1805.3 ± 1.8 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: 0.0699
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No