Information card for entry 7052249

Structure parameters

• Chemical name: Bis(nitrato-O)bis(triphenylphosphine oxide-O)beryllium(II)
• Formula: C36 H30 Be N2 O8 P2
• Calculated formula: C36 H30 Be N2 O8 P2
• SMILES: [Be](ON(=O)=O)(ON(=O)=O)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, spectroscopic studies and structural systematics of phosphine oxide complexes with Group II metal (beryllium?barium) nitrates
• Authors of publication: Davis, Martin F.; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 782
• a: 10.272 ± 0.003 Å
• b: 9.579 ± 0.002 Å
• c: 34.807 ± 0.007 Å
• α: 90°
• β: 90.868 ± 0.01°
• γ: 90°
• Cell volume: 3424.5 ± 1.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2107
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No