Crystallography Open Database

Information card for entry 7061892

Preview

Coordinates	7061892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Er2 O17 S6
Calculated formula	C30 H28 Er2 O17 S6
Title of publication	Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes
Authors of publication	Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	40
Pages of publication	19104 - 19111
a	9.9187 ± 0.0007 Å
b	19.18 ± 0.0007 Å
c	11.0843 ± 0.0007 Å
α	90°
β	116.458 ± 0.008°
γ	90°
Cell volume	1887.8 ± 0.2 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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