Crystallography Open Database

Information card for entry 4311658

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Coordinates	4311658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H80 F50 Hg2 Nd2 O16 S10
Calculated formula	C92 H80 F50 Hg2 Nd2 O16 S10
Title of publication	Heterometallic Ln/Hg Compounds with Fluorinated Thiolate Ligands
Authors of publication	Santanu Banerjee; Thomas J. Emge; John G. Brennan
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6307 - 6312
a	12.6488 ± 0.0007 Å
b	13.2025 ± 0.0007 Å
c	19.5108 ± 0.001 Å
α	87.149 ± 0.001°
β	84.017 ± 0.001°
γ	64.092 ± 0.001°
Cell volume	2914.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.141
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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