Crystallography Open Database

Information card for entry 7029142

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Structure parameters

Formula	C52.5 H58 Cl N2 O2 P2 Ru
Calculated formula	C52.5 H58 Cl N2 O2 P2 Ru
Title of publication	Reactions of ruthenium hydrides with ethyl-vinyl sulfide.
Authors of publication	Dahcheh, Fatme; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	9
Pages of publication	3501 - 3507
a	13.009 ± 0.003 Å
b	18.484 ± 0.004 Å
c	20.315 ± 0.005 Å
α	90°
β	104.49 ± 0.012°
γ	90°
Cell volume	4729.5 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0657
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7029142.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7029142.cif
105522	2014-03-12	cif/ Adding structures of 7029141, 7029142, 7029143, 7029144, 7029145 via cif-deposit CGI script.	7029142.cif