Crystallography Open Database

Information card for entry 7702754

Preview

Coordinates	7702754.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	'Oxonium bis(chloranilate)yttrate.solvate'
Formula	C20 H35 Cl4 O17 Y
Calculated formula	C12 Cl4 O12.44 Y
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	11.578 ± 0.001 Å
b	11.578 ± 0.001 Å
c	25.391 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3403.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1392
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for all reflections	0.2721
Weighted residual factors for significantly intense reflections	0.2025
Goodness-of-fit parameter for all reflections	1.047
Goodness-of-fit parameter for significantly intense reflections	1.126
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	7702754.cif