Crystallography Open Database

Information card for entry 7025460

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Structure parameters

Formula	C130 H254 Ga12 N18 O13 Si24
Calculated formula	C130 H254 Ga12 N18 O13 Si24
Title of publication	Gallium-gallium bonds as efficient templates for the generation of a large cage containing twelve gallium atoms.
Authors of publication	Uhl, Werner; Voss, Matthias; Layh, Marcus; Rogel, Friedhelm
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	13
Pages of publication	3160 - 3162
a	21.602 ± 0.002 Å
b	39.935 ± 0.004 Å
c	31.387 ± 0.003 Å
α	90°
β	105.759 ± 0.002°
γ	90°
Cell volume	26059 ± 4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0573
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	0.846
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7025460.cif
179960	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/54.	7025460.cif
93058	2014-01-12	cif/ Adding structures of 7025460 via cif-deposit CGI script.	7025460.cif