Crystallography Open Database

Information card for entry 7045788

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Coordinates	7045788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H35 N7 O3 S2 Zn
Calculated formula	C25 H35 N7 O3 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	7.8976 ± 0.0008 Å
b	11.1979 ± 0.0011 Å
c	17.2554 ± 0.0016 Å
α	98.13 ± 0.008°
β	92.775 ± 0.008°
γ	91.666 ± 0.008°
Cell volume	1507.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1739
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
288256 (current)	2023-12-12	cif/ Removed the mispelled '__audit_creation_method' data name since a proper version of the same data name is already present.	7045788.cif
229764	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.	7045788.cif
206824	2018-03-08	cif/ Adding structures of 7045785, 7045786, 7045787, 7045788, 7045789, 7045790, 7045791, 7045792, 7045793 via cif-deposit CGI script.	7045788.cif