Crystallography Open Database

Information card for entry 4327332

Preview

Coordinates	4327332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H86 Cl6 N2 O3 P2 Zr2
Calculated formula	C71 H86 Cl6 N3 O3 P2 Zr2
SMILES	[Zr]1(Cl)(Cl)(Cl)([P](c2c(N1c1c(C(C)C)cccc1C(C)C)cccc2)(c1ccccc1)c1ccccc1)[O]1CCCC1.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	11.187 ± 0.0004 Å
b	17.343 ± 0.0007 Å
c	20.167 ± 0.0008 Å
α	97.629 ± 0.002°
β	97.176 ± 0.002°
γ	98.173 ± 0.001°
Cell volume	3797.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1716
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.257
Weighted residual factors for all reflections included in the refinement	0.3161
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	4327332.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327332.cif
61096	2012-06-21	cif/ Adding structures of 4327332 via cif-deposit CGI script.	4327332.cif