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Information card for entry 4074246
Preview
Coordinates | 4074246.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H25 Cl2 O2 Sb |
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Calculated formula | C16 H25 Cl2 O2 Sb |
SMILES | [Sb](Cl)(Cl)c1c(cccc1COC(C)(C)C)COC(C)(C)C |
Title of publication | Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands |
Authors of publication | Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 18 |
Pages of publication | 4366 |
a | 10.632 ± 0.0002 Å |
b | 12.346 ± 0.0002 Å |
c | 14.875 ± 0.0003 Å |
α | 90° |
β | 102.15 ± 0.0011° |
γ | 90° |
Cell volume | 1908.8 ± 0.06 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0266 |
Residual factor for significantly intense reflections | 0.0226 |
Weighted residual factors for significantly intense reflections | 0.0531 |
Weighted residual factors for all reflections included in the refinement | 0.0551 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178631 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/42. |
4074246.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074246.cif |
48266 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074245, 4074246, 4074247, 4074248, 4074249, 4074250, 4074251, 4074252 via cif-deposit CGI script. |
4074246.cif |
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Users of the data should acknowledge the original authors of the
structural data.