Crystallography Open Database

Information card for entry 4076311

Preview

Coordinates	4076311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H40 Cl Cr N2 O0.5
Calculated formula	C31 H40 Cl Cr N2 O0.5
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	22.7359 ± 0.0011 Å
b	16.9398 ± 0.0008 Å
c	14.8727 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5728.1 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1368
Residual factor for significantly intense reflections	0.1007
Weighted residual factors for significantly intense reflections	0.2645
Weighted residual factors for all reflections included in the refinement	0.2876
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4076311.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076311.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.	4076311.cif