Crystallography Open Database

Information card for entry 1519751

1519750 << 1519751 >> 1519752

Preview

Coordinates	1519751.cif

Structure parameters

Formula	C96 H216 Cl7 P8 Ru3
Calculated formula	C96 H216 Cl7 P8 Ru3
Title of publication	C96 H216 Cl7 P8 Ru3
Authors of publication	Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.
Journal of publication	Crystal Structure Report Archive
Year of publication	2005
Pages of publication	1104
a	35.086 ± 0.007 Å
b	14.184 ± 0.003 Å
c	26.639 ± 0.005 Å
α	90°
β	119.17 ± 0.03°
γ	90°
Cell volume	11576 ± 5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
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.	1519751.cif
136973	2015-05-19	cif/ Adding structures of 1519751 via cif-deposit CGI script.	1519751.cif