Crystallography Open Database

Information card for entry 4076313

Preview

Coordinates	4076313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H55 B Cl Cr F24 N2 O
Calculated formula	C65 H55 B Cl Cr F24 N2 O
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	12.747 Å
b	12.747 Å
c	33.708 Å
α	90°
β	90°
γ	120°
Cell volume	4743.29 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.2173
Residual factor for significantly intense reflections	0.0958
Weighted residual factors for significantly intense reflections	0.217
Weighted residual factors for all reflections included in the refinement	0.2767
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
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.	4076313.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076313.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.	4076313.cif