Information card for entry 7052250

Structure parameters

• Chemical name: Bis(nitrato-O,O')bis(triphenylphosphine oxide-O)magnesium(II)
• Formula: C36 H30 Mg N2 O8 P2
• Calculated formula: C36 H30 Mg N2 O8 P2
• SMILES: c1(ccccc1)P(c1ccccc1)(=[O][Mg](ON(=O)=O)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)ON(=O)=O)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: 15.343 ± 0.003 Å
• b: 13.705 ± 0.002 Å
• c: 17.202 ± 0.003 Å
• α: 90°
• β: 96.971 ± 0.004°
• γ: 90°
• Cell volume: 3590.4 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No