Crystallography Open Database

Information card for entry 7029143

Preview

Coordinates	7029143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 Cl3 N4 O2 P Ru
Calculated formula	C48 H54 Cl3 N4 O2 P 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	9.986 ± 0.0006 Å
b	19.2471 ± 0.0012 Å
c	24.3594 ± 0.0016 Å
α	90°
β	90.793 ± 0.002°
γ	90°
Cell volume	4681.5 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	0.662
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
179997 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/91.	7029143.cif
105522	2014-03-12	cif/ Adding structures of 7029141, 7029142, 7029143, 7029144, 7029145 via cif-deposit CGI script.	7029143.cif