Crystallography Open Database

Information card for entry 7022845

Preview

Coordinates	7022845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H78 N2 O5 Zr
Calculated formula	C45 H78 N2 O5 Zr
Title of publication	Zirconium and hafnium complexes containing N-alkyl substituted amine biphenolate ligands: coordination chemistry and living ring-opening polymerization catalysis.
Authors of publication	Liang, Lan-Chang; Lin, Sheng-Ta; Chien, Chia-Cheng; Chen, Ming-Tsz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	25
Pages of publication	9286 - 9293
a	10.4727 ± 0.0011 Å
b	21.469 ± 0.002 Å
c	21.279 ± 0.002 Å
α	90°
β	92.473 ± 0.003°
γ	90°
Cell volume	4779.9 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.0834
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179933 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/28.	7022845.cif
90360	2013-11-17	cif/ Adding structures of 7022845, 7022846, 7022847, 7022848, 7022849 via cif-deposit CGI script.	7022845.cif