Crystallography Open Database

Information card for entry 4082186

Preview

Coordinates	4082186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H45 Cl3 Cu N10 O13 Ru
Calculated formula	C54 H45 Cl3 Cu N10 O13 Ru
Title of publication	Stepwise Coordination Followed by Oxidation Mechanism for the Multichannel Detection of Cu2+in an Aqueous Environment
Authors of publication	Gong, Zhong-Liang; Zhong, Yu-Wu
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7495
a	12.094 ± 0.002 Å
b	13.575 ± 0.003 Å
c	21.239 ± 0.004 Å
α	92.92 ± 0.03°
β	98.09 ± 0.03°
γ	113.9 ± 0.03°
Cell volume	3133.7 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2177
Residual factor for significantly intense reflections	0.1651
Weighted residual factors for significantly intense reflections	0.3825
Weighted residual factors for all reflections included in the refinement	0.4162
Goodness-of-fit parameter for all reflections included in the refinement	1.723
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
178710 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/21.	4082186.cif
92223	2014-01-12	cif/ Adding structures of 4082186 via cif-deposit CGI script.	4082186.cif