Crystallography Open Database

Information card for entry 1520352

1520351 << 1520352 >> 1520353

Preview

Coordinates	1520352.cif
External links	PubChem

Structure parameters

Formula	C20 H28 B Cl3 F4 Ru2
Calculated formula	C20 H28 B Cl3 F4 Ru2
Title of publication	C20H28BCl3F4Ru2
Authors of publication	Fletcher, Nicholas C.; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	1250
a	10.7827 ± 0.0012 Å
b	13.1678 ± 0.0012 Å
c	16.8284 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2389.4 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520352.cif
176428	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.	1520352.cif
138355	2015-06-05	cif/ Adding structures of 1520352 via cif-deposit CGI script.	1520352.cif