Crystallography Open Database

Information card for entry 4071804

Preview

Coordinates	4071804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 Cl7 Cr N5
Calculated formula	C14.996 H17 Cl7 Cr N5
Title of publication	Ethylene Oligomerization with Cr−NHC Catalysts: Further Insights into the Extended Metallacycle Mechanism of Chain Growth
Authors of publication	McGuinness, David S.; Suttil, James A.; Gardiner, Michael G.; Davies, Noel W.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	16
Pages of publication	4238
a	14.649 ± 0.005 Å
b	14.395 ± 0.003 Å
c	11.144 ± 0.008 Å
α	90°
β	107.51 ± 0.04°
γ	90°
Cell volume	2241.1 ± 1.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
178607 (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 4/07/18.	4071804.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071804.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071804.cif
44052	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071804 via cif-deposit CGI script.	4071804.cif