Crystallography Open Database

Information card for entry 4327333

Preview

Coordinates	4327333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H54 Cl2 N2 O P2 Zr
Calculated formula	C56 H54 Cl2 N2 O P2 Zr
SMILES	[Zr]12(Cl)(Cl)([P](c3c(N1c1c(C)cccc1C)cccc3)(c1ccccc1)c1ccccc1)[P](c1c(N2c2c(C)cccc2C)cccc1)(c1ccccc1)c1ccccc1.O1CCCC1
Title of publication	Zirconium and Hafnium Complexes Containing Bidentate Diarylamido-Phosphine Ligands
Authors of publication	Pin-Shu Chien; Lan-Chang Liang
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5147 - 5151
a	13.873 ± 0.0004 Å
b	18.947 ± 0.0006 Å
c	18.446 ± 0.0007 Å
α	90°
β	94.88 ± 0.001°
γ	90°
Cell volume	4831 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1267
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.1701
Weighted residual factors for all reflections included in the refinement	0.2132
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327333.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327333.cif
61097	2012-06-21	cif/ Adding structures of 4327333 via cif-deposit CGI script.	4327333.cif