Crystallography Open Database

Information card for entry 7702755

Preview

Coordinates	7702755.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	diaquabis(chloranilato)thorium(IV) hydrate
Formula	C12 H12 Cl4 O14 Th
Calculated formula	C12 Cl4 O14 Th
Title of publication	Dihydroxybenzoquinone and chloranilic acid derivatives of rare earth metals
Authors of publication	Abrahams, Brendan F.; Coleiro, Joseph; Ha, Karen; Hoskins, Bernard F.; Orchard, Simon D.; Robson, Richard
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	8
Pages of publication	1586
a	13.884 ± 0.001 Å
b	11.522 ± 0.001 Å
c	12.72 ± 0.001 Å
α	90°
β	96.231 ± 0.008°
γ	90°
Cell volume	2022.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243998 (current)	2019-11-28	cif/ Adding structures of 7702740, 7702741, 7702742, 7702743, 7702744, 7702745, 7702746, 7702747, 7702748, 7702749, 7702750, 7702751, 7702752, 7702753, 7702754, 7702755 via cif-deposit CGI script.	7702755.cif