Crystallography Open Database

Information card for entry 4324218

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Coordinates	4324218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H64 F12 Hg2 N4 O5 P2 S4
Calculated formula	C50 H64 F12 Hg2 N4 O5 P2 S4
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	23.676 ± 0.005 Å
b	9.0739 ± 0.0018 Å
c	28.876 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	6204 ± 2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	8
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.226
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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