Crystallography Open Database

Information card for entry 7702751

Preview

Coordinates	7702751.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexaaquatris(chloranilato)digadolinium(III) hydrate
Formula	C18 H32 Cl6 Gd2 O28
Calculated formula	C18 H12 Cl6 Gd2 O28
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	9.381 ± 0.001 Å
b	9.941 ± 0.001 Å
c	11.311 ± 0.001 Å
α	76.9 ± 0.01°
β	77.15 ± 0.01°
γ	74.79 ± 0.01°
Cell volume	976.37 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for all reflections	0.0586
Weighted residual factors for significantly intense reflections	0.0559
Goodness-of-fit parameter for all reflections	1.082
Goodness-of-fit parameter for significantly intense reflections	1.095
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
249481 (current)	2020-03-18	cif/7/70/ (saulius@koala.ibt.lt) Removing extra space from the '_cell_angle_alpha' value in 7702751.cif. The space was present in the original file and was most probably a typo (auto-fixed by our parser in favour of character string, not a number).	7702751.cif
243998	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.	7702751.cif