Crystallography Open Database

Information card for entry 7045790

Preview

Coordinates	7045790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 Cu N10 O6 S2
Calculated formula	C26 H36 Cu N10 O6 S2
Title of publication	Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation.
Authors of publication	Tarai, Arup; Baruah, Jubaraj B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	14
Pages of publication	4921 - 4930
a	28.1709 ± 0.0013 Å
b	7.8227 ± 0.0004 Å
c	17.0447 ± 0.0008 Å
α	90°
β	118.54 ± 0.003°
γ	90°
Cell volume	3299.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0872
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229764 (current)	2019-11-17	cif/ Updating files of 7045785, 7045786, 7045787, 7045788, 7045789, 7045790, 7045791, 7045792, 7045793 Original log message: Adding full bibliography for 7045785--7045793.cif.	7045790.cif
206824	2018-03-08	cif/ Adding structures of 7045785, 7045786, 7045787, 7045788, 7045789, 7045790, 7045791, 7045792, 7045793 via cif-deposit CGI script.	7045790.cif