Crystallography Open Database

Information card for entry 7113876

Preview

Coordinates	7113876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 Cl4 N4 O3 Ru
Calculated formula	C26 H17 Cl4 N4 O3 Ru
Title of publication	Highly efficient epoxidation of cyclic alkenes catalyzed by ruthenium complex
Authors of publication	Qi, Jian Ying; Qiu, Li Qin; Lam, Kim Hung; Yip, Chiu Wing; Zhou, Zhong Yuan; Chan, Albert S. C.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	9
Pages of publication	1058 - 1059
a	16.706 ± 0.002 Å
b	13.6138 ± 0.0017 Å
c	15.7145 ± 0.0019 Å
α	90°
β	115.723 ± 0.003°
γ	90°
Cell volume	3219.8 ± 0.7 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1058
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104092
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210686 (current)	2018-09-10	cif/7/ Updating bibliography in entries 7104092, 7113876. Marking entry 7113876 as a duplicate of entry 7104092.	7113876.cif
180252	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38.	7113876.cif
115324	2014-06-03	cif/ Adding structures of 7113876 via cif-deposit CGI script.	7113876.cif