Crystallography Open Database

Information card for entry 1554189

Preview

Coordinates	1554189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Cl2 O3 P Ru
Calculated formula	C29 H31 Cl2 O3 P Ru
SMILES	[Ru]12345(Cl)(Cl)([P](c6ccc(cc6)C(=O)O)(c6ccccc6)c6ccccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C.O
Title of publication	Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone
Authors of publication	Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.
Journal of publication	Catalysis Science & Technology
Year of publication	2018
Journal volume	8
Journal issue	9
Pages of publication	2370
a	10.0354 ± 0.0005 Å
b	12.4751 ± 0.0012 Å
c	22.059 ± 0.0013 Å
α	90°
β	93.55 ± 0.004°
γ	90°
Cell volume	2756.3 ± 0.3 Å³
Ambient diffraction temperature	99.98 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0641
Goodness-of-fit parameter for all reflections included in the refinement	1.0449
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236817 (current)	2019-11-24	cif/ Adding structures of 1554189, 1554190, 1554191 via cif-deposit CGI script.	1554189.cif