Crystallography Open Database

Information card for entry 7057642

Preview

Coordinates	7057642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H11 Br N O10 Ru3
Calculated formula	C19 H11 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	16.7385 ± 0.001 Å
b	10.0421 ± 0.0006 Å
c	15.8393 ± 0.001 Å
α	90°
β	116.369 ± 0.001°
γ	90°
Cell volume	2385.4 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0296
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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.	7057642.cif
209660	2018-08-14	cif/ Adding structures of 7057641, 7057642, 7057643, 7057644 via cif-deposit CGI script.	7057642.cif