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Information card for entry 7014541
Preview
Coordinates | 7014541.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H54 N4 Ni O4 P4 Se2 |
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Calculated formula | C54 H54 N4 Ni O4 P4 Se2 |
SMILES | N(C=[O][Ni]12(OP(c3ccccc3)(c3ccccc3)=NP(=[Se]2)(c2ccccc2)c2ccccc2)(OP(c2ccccc2)(c2ccccc2)=NP(=[Se]1)(c1ccccc1)c1ccccc1)[O]=CN(C)C)(C)C |
Title of publication | Conversion of tetrahedral to octahedral structures upon solvent coordination: studies on the M[(OPPh2)(SePPh2)N]2 (M = Co, Ni) and [Ni{(OPPh2)(EPPh2)N}2(dmf)2] (E = S, Se) complexes. |
Authors of publication | Ferentinos, Eleftherios; Maganas, Dimitrios; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Robertson, Neil; Kyritsis, Panayotis |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 1 |
Pages of publication | 169 - 180 |
a | 9.326 ± 0.004 Å |
b | 10.505 ± 0.005 Å |
c | 13.5 ± 0.006 Å |
α | 88.89 ± 0.01° |
β | 86.33 ± 0.01° |
γ | 85.3 ± 0.01° |
Cell volume | 1315.3 ± 1 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.0458 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.1033 |
Weighted residual factors for all reflections included in the refinement | 0.1088 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7014541.html
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