Information card for entry 7052251

Structure parameters

• Chemical name: Bis(nitrato-O,O')bis(1,2-bis(diphenylphosphinoyl)benzene)Calcium(II)
• Formula: C60 H48 Ca N2 O10 P4
• Calculated formula: C60 H48 Ca N2 O10 P4
• 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: 21.771 ± 0.004 Å
• b: 10.699 ± 0.001 Å
• c: 24.074 ± 0.004 Å
• α: 90°
• β: 104.394 ± 0.005°
• γ: 90°
• Cell volume: 5431.5 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No