Crystallography Open Database

Information card for entry 4071159

Preview

Structure parameters

Formula	C66 H84 N6 Ni O12 S2
Calculated formula	C66 H84 N6 Ni O12 S2
Title of publication	Synthesis, Structures, and Reactivity of Nickel Complexes Incorporating Sulfonamido-Imine Ligands
Authors of publication	Li, Jianfeng; Tian, Dawei; Song, Haibin; Wang, Chunhua; Zhu, Xiaoqing; Cui, Chunming; Cheng, Jin-Pei
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	7
Pages of publication	1605
a	14.6947 ± 0.0019 Å
b	10.0558 ± 0.0013 Å
c	22.45 ± 0.002 Å
α	90°
β	104.286 ± 0.006°
γ	90°
Cell volume	3214.8 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4071159.cif
178600	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/11.	4071159.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071159.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071159.cif
43076	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071159 via cif-deposit CGI script.	4071159.cif