Crystallography Open Database

Information card for entry 4076310

Preview

Coordinates	4076310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 Cl Cr N2
Calculated formula	C34 H38 Cl Cr N2
Title of publication	Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization
Authors of publication	Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	5
Pages of publication	1643
a	10.211 ± 0.002 Å
b	21.9 ± 0.004 Å
c	15.64 ± 0.003 Å
α	90°
β	107.4 ± 0.03°
γ	90°
Cell volume	3337.4 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1172
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.2513
Weighted residual factors for all reflections included in the refinement	0.2706
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.6939 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178652 (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 4/07/63.	4076310.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076310.cif
51922	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076308, 4076309, 4076310, 4076311, 4076312, 4076313, 4076314, 4076315, 4076316 via cif-deposit CGI script.	4076310.cif