Crystallography Open Database

Information card for entry 7121001

Preview

Coordinates	7121001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.56 H54.68 Cl0.88 O3.78 P4 Ru
Calculated formula	C58.5612 H54.6836 Cl0.8776 O3.7806 P4 Ru
Title of publication	Development of a novel secondary phosphine oxide-ruthenium(ii) catalyst and its application for carbonyl reduction.
Authors of publication	Tan, Xuefeng; Zeng, Weijun; Zhang, Xiaoyong; Chung, Lung Wa; Zhang, Xumu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	5
Pages of publication	535 - 538
a	12.4387 ± 0.0011 Å
b	16.867 ± 0.0015 Å
c	24.294 ± 0.002 Å
α	90°
β	90.103 ± 0.003°
γ	90°
Cell volume	5097 ± 0.8 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 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	0.0344
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7121001.html