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Information card for entry 7052250
Preview
Coordinates | 7052250.cif |
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Original paper (by DOI) | HTML |
Chemical name | Bis(nitrato-O,O')bis(triphenylphosphine oxide-O)magnesium(II) |
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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 Å3 |
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 |
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