Crystallography Open Database

Information card for entry 4327334

Preview

Coordinates	4327334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H46 Cl2 Hf N2 O0 P2
Calculated formula	C52 H46 Cl2 Hf N2 P2
SMILES	c1(c(C)cccc1C)N1c2ccccc2[P](c2ccccc2)(c2ccccc2)[Hf]21(Cl)(N(c1c(C)cccc1C)c1ccccc1[P]2(c1ccccc1)c1ccccc1)Cl
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	14.906 ± 0.0002 Å
b	18.972 ± 0.0004 Å
c	16.323 ± 0.0003 Å
α	90°
β	105.933 ± 0.001°
γ	90°
Cell volume	4438.75 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.237
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.	4327334.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327334.cif
61098	2012-06-21	cif/ Adding structures of 4327334 via cif-deposit CGI script.	4327334.cif