Crystallography Open Database

Information card for entry 7036748

Preview

Coordinates	7036748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H66 N2 O4 Zr
Calculated formula	C51 H66 N2 O4 Zr
Title of publication	Zirconium complexes stabilized by amine-bridged bis(phenolato) ligands as precatalysts for intermolecular hydroamination reactions.
Authors of publication	Sun, Qiu; Wang, Yaorong; Yuan, Dan; Yao, Yingming; Shen, Qi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20352 - 20360
a	19.1566 ± 0.0009 Å
b	16.0193 ± 0.0006 Å
c	16.0089 ± 0.0007 Å
α	90°
β	110.204 ± 0.005°
γ	90°
Cell volume	4610.5 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
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	0.047
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7036748.cif
171253	2015-12-09	cif/ Updating files of 7036748 Original log message: Adding full bibliography for 7036748.cif.	7036748.cif
159535	2015-10-02	cif/ Adding structures of 7036748 via cif-deposit CGI script.	7036748.cif