Crystallography Open Database

Information card for entry 4029734

Preview

Coordinates	4029734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H47 Cl5 P Ru2
Calculated formula	C28 H47 Cl5 P Ru2
Title of publication	Tandem catalysis of ring-closing metathesis/atom transfer radical reactions with homobimetallic ruthenium-arene complexes.
Authors of publication	Borguet, Yannick; Sauvage, Xavier; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2010
Journal volume	6
Pages of publication	1167 - 1173
a	19.6672 ± 0.0013 Å
b	16.8432 ± 0.0012 Å
c	10.2146 ± 0.0006 Å
α	90°
β	101.481 ± 0.004°
γ	90°
Cell volume	3316 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0536
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178476 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/97.	4029734.cif
120259	2014-07-14	cif/ Adding structures of 4029734 via cif-deposit CGI script.	4029734.cif