Crystallography Open Database

Information card for entry 4071157

Preview

Coordinates	4071157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.5 H50 Cl N3 Ni O2 S
Calculated formula	C43.5 H50 Cl N3 Ni O2 S
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	51.72 ± 0.02 Å
b	14.234 ± 0.006 Å
c	11.046 ± 0.005 Å
α	90°
β	101.719 ± 0.005°
γ	90°
Cell volume	7962 ± 6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
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	0.0759
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
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.	4071157.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071157.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071157.cif
43074	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071157 via cif-deposit CGI script.	4071157.cif