Crystallography Open Database

Information card for entry 7061888

Preview

Coordinates	7061888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Ho2 O17 S6
Calculated formula	C30 H28 Ho2 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	9.9388 ± 0.0006 Å
b	19.2401 ± 0.0011 Å
c	11.0949 ± 0.0008 Å
α	90°
β	116.176 ± 0.008°
γ	90°
Cell volume	1904 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.059
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7061888.html