Crystallography Open Database

Information card for entry 1520472

1520471 << 1520472 >> 1520473

Preview

Coordinates	1520472.cif

Structure parameters

Formula	C40 H34 Cl2 P2 Pt
Calculated formula	C40 H34 Cl2 P2 Pt
SMILES	Cl[Pt](Cl)([P](c1ccc(cc1)C=C)(c1ccccc1)c1ccccc1)[P](c1ccc(cc1)C=C)(c1ccccc1)c1ccccc1
Title of publication	C40H34Cl2P2Pt
Authors of publication	James, Stuart L.; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2010
Pages of publication	1263
a	10.0905 ± 0.0002 Å
b	12.7583 ± 0.0004 Å
c	14.4492 ± 0.0005 Å
α	100.026 ± 0.002°
β	98.124 ± 0.002°
γ	108.201 ± 0.002°
Cell volume	1701.6 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520472.cif
138993	2015-06-09	cif/ Adding structures of 1520472 via cif-deposit CGI script.	1520472.cif