Crystallography Open Database

Information card for entry 7117551

Preview

Coordinates	7117551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H132 Al18 Ga2 O110.5 S8
Calculated formula	C40 H132 Al18 Ga2 O110.5 S8
Title of publication	Isolation and characterization of the [Ga2Al18O8(OH)36(H2O)12](8+) cluster: cationic variations on the Wells-Dawson topology.
Authors of publication	Fairley, M.; Corum, K. W.; Johns, A.; Unruh, D. K.; Basile, M.; de Groot, J.; Mason, S. E.; Forbes, T. Z.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	62
Pages of publication	12467 - 12469
a	10.0721 ± 0.0007 Å
b	16.7628 ± 0.0011 Å
c	17.7945 ± 0.0012 Å
α	90.852 ± 0.002°
β	99.861 ± 0.002°
γ	101.175 ± 0.002°
Cell volume	2900.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7117551.cif
152963	2015-08-06	cif/ Adding structures of 7117551 via cif-deposit CGI script.	7117551.cif