Crystallography Open Database

Information card for entry 7702753

Preview

Coordinates	7702753.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexaaquatris(cholranilato)discandium(III) hydrate
Formula	C18 H32 Cl6 O28 Sc2
Calculated formula	C18 Cl6 O28 Sc2
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	9.056 ± 0.001 Å
b	19.258 ± 0.002 Å
c	21.842 ± 0.003 Å
α	90°
β	96.75 ± 0.009°
γ	90°
Cell volume	3782.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7702753.cif