Crystallography Open Database

Information card for entry 4071158

Preview

Coordinates	4071158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H106 N4 Ni O10 S2
Calculated formula	C76 H58 N4 Ni O10 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	12.732 ± 0.0007 Å
b	15.4904 ± 0.0006 Å
c	36.9865 ± 0.0018 Å
α	90°
β	98.778 ± 0.002°
γ	90°
Cell volume	7209.2 ± 0.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1015
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2368
Weighted residual factors for all reflections included in the refinement	0.2487
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
178600 (current)	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.	4071158.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071158.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071158.cif
43075	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071158 via cif-deposit CGI script.	4071158.cif