Crystallography Open Database

Information card for entry 4346052

Preview

Coordinates	4346052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H96 Ga11.8 In1.2 N15 O99
Calculated formula	Ga11.86 In1.14 N12 O84
Title of publication	Synthesis and solid-state structural characterization of a series of aqueous heterometallic tridecameric group 13 clusters.
Authors of publication	Kamunde-Devonish, Maisha K; Fast, Dylan B.; Mensinger, Zachary L.; Gatlin, Jason T.; Zakharov, Lev N.; Dolgos, Michelle R.; Johnson, Darren W.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	8
Pages of publication	3913 - 3920
a	20.1387 ± 0.0014 Å
b	20.1387 ± 0.0014 Å
c	18.49 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	6494.3 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
231600 (current)	2019-11-22	cif/ Adding structures of 4346052 via cif-deposit CGI script.	4346052.cif