Crystallography Open Database

Information card for entry 4082378

Preview

Coordinates	4082378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64.5 N4 O2 Zr
Calculated formula	C38 H64.5 N4 O2 Zr
Title of publication	Synthesis of Group 4 Metal Complexes Stabilized by an Amine-Bridged Bis(phenolato) Ligand and Their Catalytic Behavior in Intermolecular Hydroamination Reactions
Authors of publication	Sun, Qiu; Wang, Yaorong; Yuan, Dan; Yao, Yingming; Shen, Qi
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	4
Pages of publication	994
a	12.446 ± 0.003 Å
b	19.325 ± 0.004 Å
c	17.213 ± 0.004 Å
α	90°
β	97.867 ± 0.005°
γ	90°
Cell volume	4101.1 ± 1.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.1081
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.2061
Weighted residual factors for all reflections included in the refinement	0.224
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4082378.cif
104389	2014-03-11	cif/ Adding structures of 4082378 via cif-deposit CGI script.	4082378.cif