Crystallography Open Database

Information card for entry 8105515

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Coordinates	8105515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 N6 O2 S2 Zn
Calculated formula	C26 H36 N6 O2 S2 Zn
SMILES	[Zn]12(SC(=N[N]1=C(C)CCc1ccc(OC)cc1)NC)SC(=N[N]2=C(C)CCc1ccc(OC)cc1)NC
Title of publication	Crystal structure of bis{N-methyl-N′-[3-(4-methoxyphenyl)-1-methylpropane-1-ylidene]carbamohydrazonothioato}zinc(II), C26H36N6O2S2Zn
Authors of publication	Tan, Ming Yueh; Kwong, Huey Chong; Crouse, Karen A.; Ravoof, Thahira B.S.A.; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1539 - 1541
a	9.1777 ± 0.0005 Å
b	12.3828 ± 0.0007 Å
c	13.3137 ± 0.0007 Å
α	102.157 ± 0.005°
β	101.395 ± 0.004°
γ	100.771 ± 0.004°
Cell volume	1408.14 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0761
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
276246 (current)	2022-06-24	cif/ Adding structures of 8105515 via cif-deposit CGI script.	8105515.cif