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Information card for entry 2012643
Preview
Coordinates | 2012643.cif |
---|---|
Structure factors | 2012643.hkl |
Original IUCr paper | HTML |
Chemical name | Bis-[hydrogen-1,1'-bis(diphenylphosphinato)ferrocenium octachlorodiantimony(III) |
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Formula | C68 H58 Cl8 Fe2 O4 P4 Sb2 |
Calculated formula | C68 H58 Cl8 Fe2 O4 P4 Sb2 |
SMILES | [Sb]1(Cl)(Cl)(Cl)[Cl][Sb](Cl)(Cl)(Cl)[Cl]1.[Fe]12345678([cH]9[cH]4[cH]3[c]2([cH]19)[P+](c1ccccc1)(c1ccccc1)O)[c]1([cH]5[cH]6[cH]7[cH]81)P(=O)(c1ccccc1)c1ccccc1.[Fe]12345678([cH]9[cH]4[cH]3[c]2([cH]19)[P+](c1ccccc1)(c1ccccc1)O)[c]1([cH]5[cH]6[cH]7[cH]81)P(=O)(c1ccccc1)c1ccccc1 |
Title of publication | Bis[hydrogen 1,1'-bis(diphenylphosphinato)ferrocenium] octachlorodiantimony(III) |
Authors of publication | Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Kassim, Nor Azilah M. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2002 |
Journal volume | 58 |
Journal issue | 4 |
Pages of publication | m225 - m227 |
a | 11.036 ± 0.001 Å |
b | 12.348 ± 0.001 Å |
c | 14.002 ± 0.001 Å |
α | 76.35 ± 0.01° |
β | 77.19 ± 0.01° |
γ | 70.82 ± 0.01° |
Cell volume | 1729.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0307 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.074 |
Weighted residual factors for all reflections included in the refinement | 0.0755 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2012643.html
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