Crystallography Open Database

Information card for entry 7045791

Preview

Coordinates	7045791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 N10 O6 S2 Zn
Calculated formula	C26 H36 N10 O6 S2 Zn
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	17.011 ± 0.0007 Å
b	7.4545 ± 0.0003 Å
c	26.895 ± 0.0015 Å
α	90°
β	100.247 ± 0.004°
γ	90°
Cell volume	3356.1 ± 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	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	7045791.cif
206824	2018-03-08	cif/ Adding structures of 7045785, 7045786, 7045787, 7045788, 7045789, 7045790, 7045791, 7045792, 7045793 via cif-deposit CGI script.	7045791.cif