Crystallography Open Database

Information card for entry 7216183

Preview

Coordinates	7216183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ge2 H60 Mo16 Na12 O88
Calculated formula	Ge2 Mo16 Na12 O88
Title of publication	Self-assembly and thermotropic liquid crystal properties of a hexavacant germanomolybdate: [Ge2Mo16O58]12−
Authors of publication	Gao, Yan-Qing; Zhang, Zhi-Ming; Shen, Jian-Qiang; Jia, Yue; Liu, Zhu-Jun; Wang, En-Bo
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	29
Pages of publication	6784
a	21.051 ± 0.004 Å
b	15.483 ± 0.003 Å
c	13.472 ± 0.003 Å
α	90°
β	103.62 ± 0.03°
γ	90°
Cell volume	4267.5 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
180492 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/61.	7216183.cif
119423	2014-07-07	cif/ Updating files of 7216182, 7216183 Original log message: Adding full bibliography for 7216182--7216183.cif.	7216183.cif
114587	2014-05-28	cif/ Adding structures of 7216182, 7216183 via cif-deposit CGI script.	7216183.cif