Crystallography Open Database

Information card for entry 8101710

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Coordinates	8101710.cif

Structure parameters

Chemical name	ditetrabutylammonium tetradecabromohexamolybdate
Formula	C32 H72 Br14 Mo6 N2
Calculated formula	C32 H72 Br14 Mo6 N2
Title of publication	Crystal structure of bis(tetrabutylammonium) tetradecabromohexamolybdate, [(C~4~H~9~)~4~N]~2~[Mo~6~Br~14~], at 100 K and 293 K
Authors of publication	K. Kirakci; S. Cordier; T. Roisnel; S. Golhen; C. Perrin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2005
Journal volume	220
Journal issue	1
Pages of publication	116 - 118
a	13.0064 ± 0.0002 Å
b	11.6547 ± 0.0002 Å
c	18.9931 ± 0.0004 Å
α	90°
β	90.542 ± 0.001°
γ	90°
Cell volume	2878.95 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8101710.cif
107925	2014-03-23	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101710.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101710.cif
12449	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8101710 via cif-deposit CGI script.	8101710.cif