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Information card for entry 7023819
Preview
Coordinates | 7023819.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H70 Ca N2 O4 P2 Se2 |
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Calculated formula | C66 H70 Ca N2 O4 P2 Se2 |
SMILES | C(c1ccccc1)(c1ccccc1)[N]1=P(c2ccccc2)(c2ccccc2)[Se][Ca]12([O]1CCCC1)([O]1CCCC1)[N](C(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)[Se]2.O1CCCC1.O1CCCC1 |
Title of publication | Heavier alkaline earth metal complexes with phosphinoselenoic amides: evidence of direct M-Se contact (M = Ca, Sr, Ba). |
Authors of publication | Kottalanka, Ravi K.; Naktode, Kishor; Anga, Srinivas; Nayek, Hari Pada; Panda, Tarun K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 14 |
Pages of publication | 4947 - 4956 |
a | 10.2981 ± 0.0009 Å |
b | 10.9898 ± 0.0009 Å |
c | 14.4141 ± 0.0013 Å |
α | 99.955 ± 0.007° |
β | 101.789 ± 0.008° |
γ | 103.034 ± 0.007° |
Cell volume | 1514.2 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0897 |
Residual factor for significantly intense reflections | 0.0762 |
Weighted residual factors for significantly intense reflections | 0.1998 |
Weighted residual factors for all reflections included in the refinement | 0.2068 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.186 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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