Crystallography Open Database

Information card for entry 7029145

Preview

Coordinates	7029145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H55 Cl N4 O P Ru
Calculated formula	C50 H55 Cl N4 O 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	21.7335 ± 0.0012 Å
b	14.924 ± 0.0006 Å
c	26.9039 ± 0.0013 Å
α	90°
β	90.324 ± 0.004°
γ	90°
Cell volume	8726.2 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7029145.cif
105522	2014-03-12	cif/ Adding structures of 7029141, 7029142, 7029143, 7029144, 7029145 via cif-deposit CGI script.	7029145.cif