Crystallography Open Database

Information card for entry 4308032

Preview

Coordinates	4308032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H60 N4 Ni O4 S2
Calculated formula	C32 H60 N4 Ni O4 S2
Title of publication	Metalation of Cyclic Pseudopeptidic Thiosulfinates with Ni(II) and Zn(II) after Ring Opening: A Mechanistic Investigation
Authors of publication	Erwan Galardon; Emilie Bourles; Isabelle Artaud; Jean-Claude Daran; Pascal Roussel; Alain Tomas
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4515 - 4522
a	16.833 ± 0.004 Å
b	11.8 ± 0.002 Å
c	19.114 ± 0.004 Å
α	90°
β	112.602 ± 0.003°
γ	90°
Cell volume	3505 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0652
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
179118 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/80.	4308032.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308032.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308032.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308032.cif