Crystallography Open Database

Information card for entry 4324223

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Coordinates	4324223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H21 Hg N O4 S
Calculated formula	C15 H21 Hg N O4 S
Title of publication	Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions
Authors of publication	Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	503 - 516
a	17.336 ± 0.002 Å
b	10.1793 ± 0.0012 Å
c	18.672 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3295 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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