Crystallography Open Database

Information card for entry 4073014

Preview

Coordinates	4073014.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BzRu(Cl)NacNacMe
Formula	C28 H32 Cl4 N2 Ru
Calculated formula	C28 H32 Cl4 N2 Ru
Title of publication	Facile, Thermoreversible Cycloaddition of Small Molecules to a Ruthenium(II) Arene β-Diketiminate
Authors of publication	Phillips, Andrew D.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	5
Pages of publication	1120
a	18.071 ± 0.004 Å
b	11.112 ± 0.002 Å
c	14.124 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2836.2 ± 1 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0539
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
178619 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/30.	4073014.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073014.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073014.cif
46120	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073014, 4073015, 4073016, 4073017, 4073018 via cif-deposit CGI script.	4073014.cif