Crystallography Open Database

Information card for entry 7053809

Preview

Coordinates	7053809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H94 Cl4 Cr2 N4 O2 P4
Calculated formula	C74 H94 Cl4 Cr2 N4 O2 P4
SMILES	C12P(c3ccccc3)(c3ccccc3)=[N](C(C)(C)C)[Cr]32([N](=P1(c1ccccc1)c1ccccc1)C(C)(C)C)([Cl][Cr]12(C(P(c4ccccc4)(c4ccccc4)=[N]1C(C)(C)C)P(=[N]2C(C)(C)C)(c1ccccc1)c1ccccc1)([Cl]3)Cl)Cl.O1CCCC1.O1CCCC1
Title of publication	Chromium (iii)-bis(iminophosphoranyl)methanido complexes: synthesis, X-ray crystal structures and catalytic ethylene oligomerization
Authors of publication	Klemps, Christian; Buchard, Antoine; Houdard, Romaric; Auffrant, Audrey; Mézailles, Nicolas; Le Goff, Xavier Frédéric; Ricard, Louis; Saussine, Lucien; Magna, Lionel; Le Floch, Pascal
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	8
Pages of publication	1748
a	11.078 ± 0.001 Å
b	22.191 ± 0.001 Å
c	14.487 ± 0.001 Å
α	90°
β	97.136 ± 0.001°
γ	90°
Cell volume	3533.8 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180092 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/38.	7053809.cif
96641	2014-01-29	cif/ Adding structures of 7053808, 7053809, 7053810 via cif-deposit CGI script.	7053809.cif