Crystallography Open Database

Information card for entry 7102947

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Coordinates	7102947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cl N3 S3 Zn
Calculated formula	C16 H12 Cl N3 S3 Zn
Title of publication	Synthesis and characterization of tris(2-pyridylthio)methanido Zn complex with a Zn-C bond and DFT calculation of its one-electron oxidized species.
Authors of publication	Kitano, Ken'ichi; Kuwamura, Naoto; Tanaka, Rika; Santo, Ryoko; Nishioka, Takanori; Ichimura, Akio; Kinoshita, Isamu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal issue	11
Pages of publication	1314 - 1316
a	15.278 ± 0.004 Å
b	9.109 ± 0.002 Å
c	15.379 ± 0.004 Å
α	90°
β	125.12 ± 0.004°
γ	90°
Cell volume	1750.6 ± 0.8 Å³
Cell temperature	193 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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