Crystallography Open Database

Information card for entry 7039475

Preview

Coordinates	7039475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H50 N12 Ni2 O2
Calculated formula	C52 H50 N12 Ni2 O2
Title of publication	Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.
Authors of publication	Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	27
Pages of publication	11061 - 11070
a	13.3935 ± 0.0006 Å
b	13.9013 ± 0.0006 Å
c	14.3241 ± 0.0006 Å
α	69.076 ± 0.001°
β	68.969 ± 0.001°
γ	85.963 ± 0.001°
Cell volume	2320.04 ± 0.18 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
185396 (current)	2016-08-07	cif/ Updating files of 7039469, 7039470, 7039471, 7039472, 7039473, 7039474, 7039475 Original log message: Adding full bibliography for 7039469--7039475.cif.	7039475.cif
183386	2016-06-11	cif/ Adding structures of 7039469, 7039470, 7039471, 7039472, 7039473, 7039474, 7039475 via cif-deposit CGI script.	7039475.cif