Crystallography Open Database

Information card for entry 7216182

Preview

Coordinates	7216182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H66 Ge2 K2 Mo16 N6 O71
Calculated formula	C9 H33 Ge2 K Mo16 N6 O71
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	24.552 ± 0.005 Å
b	17.135 ± 0.003 Å
c	19.302 ± 0.004 Å
α	90°
β	111.1 ± 0.03°
γ	90°
Cell volume	7576 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0646
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1322
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
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.	7216182.cif
119423	2014-07-07	cif/ Updating files of 7216182, 7216183 Original log message: Adding full bibliography for 7216182--7216183.cif.	7216182.cif
114587	2014-05-28	cif/ Adding structures of 7216182, 7216183 via cif-deposit CGI script.	7216182.cif