Crystallography Open Database

Information card for entry 7057644

Preview

Coordinates	7057644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H13 Br N O10 Ru3
Calculated formula	C20 H13 Br N O10 Ru3
Title of publication	Ruthenium carbonyl complexes with pyridine-alkoxide ligands: synthesis, characterization and catalytic application in dehydrogenative oxidation of alcohols
Authors of publication	Hao, Zhiqiang; Yan, Xinlong; Liu, Kang; Yue, Xiaohui; Han, Zhangang; Lin, Jin
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	18
Pages of publication	15472
a	16.1512 ± 0.0014 Å
b	10.1843 ± 0.0009 Å
c	30.492 ± 0.003 Å
α	90°
β	91.103 ± 0.001°
γ	90°
Cell volume	5014.7 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.058
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230492 (current)	2019-11-17	cif/ Updating files of 7057641, 7057642, 7057643, 7057644 Original log message: Adding full bibliography for 7057641--7057644.cif.	7057644.cif
209660	2018-08-14	cif/ Adding structures of 7057641, 7057642, 7057643, 7057644 via cif-deposit CGI script.	7057644.cif