Crystallography Open Database

Information card for entry 7052749

Preview

Coordinates	7052749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Cl2 Cr P
Calculated formula	C17 H22 Cl2 Cr P
SMILES	[Cr]12345(Cl)(Cl)[P](CC[c]61[cH]5[cH]4[cH]3[cH]26)(c1ccccc1)C(C)(C)C
Title of publication	New cyclopentadienylethylphosphane chelate complexes with unsymmetrical phosphane substitution
Authors of publication	Janssen (née Kirleis), Karin; Butenschön, Holger
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	10
Pages of publication	2287
a	15.428 ± 0.003 Å
b	16.376 ± 0.005 Å
c	15.847 ± 0.003 Å
α	90°
β	115.182 ± 0.019°
γ	90°
Cell volume	3623.2 ± 1.6 Å³
Cell temperature	297 K
Ambient diffraction temperature	297 K
Number of distinct elements	5
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	0.0863
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0516
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	0.841
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7052749.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052749.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052749.cif
28148	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7052748, 7052749, 7052750 via cif-deposit CGI script.	7052749.cif