Crystallography Open Database

Information card for entry 1519750

1519749 << 1519750 >> 1519751

Preview

Coordinates	1519750.cif

Structure parameters

Formula	C16 H24 N2 Ru
Calculated formula	C16 H24 N2 Ru
SMILES	[Ru]12345678([c]9([cH]1[cH]8[cH]7[c]69CN(C)C)CN(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51
Title of publication	C16H24N2Ru
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	1103
a	7.747 ± 0.009 Å
b	15.519 ± 0.018 Å
c	25.745 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	3095 ± 5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2192
Residual factor for significantly intense reflections	0.1089
Weighted residual factors for significantly intense reflections	0.1905
Weighted residual factors for all reflections included in the refinement	0.2333
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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.	1519750.cif
136972	2015-05-19	cif/ Adding structures of 1519750 via cif-deposit CGI script.	1519750.cif