Crystallography Open Database

Information card for entry 1549079

Preview

Coordinates	1549079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H29 N6 O4 Ru
Calculated formula	C43 H29 N6 O4 Ru
SMILES	[Ru]1234(OC(=O)c5[n]4c4c(c([O-])c5)cccc4O1)[n]1c(cccc1c1[n]3c3ccccc3n1Cc1ccccc1)c1[n]2c2ccccc2n1Cc1ccccc1
Title of publication	TiO2 modified with a Ru(ii)‒N′NN′ 8-hydroxyquinolyl complex for efficient gaseous photoreduction of CO2
Authors of publication	Xiang, Wenjing; Li, Lin; Dai, Zengjin; Meng, Xianggao; Li, Renjie; Zhang, Jing; Peng, Tianyou
Journal of publication	Catalysis Science & Technology
Year of publication	2018
Journal volume	8
Journal issue	8
Pages of publication	2098
a	12.139 ± 0.009 Å
b	15.53 ± 0.011 Å
c	24.301 ± 0.017 Å
α	90°
β	98.77 ± 0.011°
γ	90°
Cell volume	4528 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1226
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.1868
Weighted residual factors for all reflections included in the refinement	0.2145
Goodness-of-fit parameter for all reflections included in the refinement	0.832
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
227962 (current)	2019-11-17	cif/ Updating files of 1549079 Original log message: Adding full bibliography for 1549079.cif.	1549079.cif
207017	2018-03-20	cif/ Adding structures of 1549079 via cif-deposit CGI script.	1549079.cif