Crystallography Open Database

Information card for entry 4069554

Preview

Coordinates	4069554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 Cl4 Cr N O
Calculated formula	C27 H30 Cl4 Cr N O
SMILES	[Cr]12345(Cl)([N](=C6c7c(O1)ccc(Cl)c7C(C6)C)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.C(Cl)Cl
Title of publication	Half-Sandwich Chromium(III) Catalysts Bearing Hydroxyindanimine Ligands for Ethylene Polymerization
Authors of publication	Huang, Yuan-Biao; Yu, Wei-Bin; Jin, Guo-Xin
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	14
Pages of publication	4170
a	13.466 ± 0.006 Å
b	14.854 ± 0.007 Å
c	14.479 ± 0.007 Å
α	90°
β	104.562 ± 0.007°
γ	90°
Cell volume	2803 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1116
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	0.818
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
178584 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95.	4069554.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069554.cif
40332	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069554 via cif-deposit CGI script.	4069554.cif