Crystallography Open Database

Information card for entry 7216552

Preview

Coordinates	7216552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu11 H144 Mo30 N10 Na O181 V9
Calculated formula	Cu11 Mo30 N7 Na O177 V9
Title of publication	Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior
Authors of publication	Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	33
Pages of publication	7681
a	53.884 ± 0.005 Å
b	13.9563 ± 0.0011 Å
c	26.848 ± 0.002 Å
α	90°
β	104.181 ± 0.002°
γ	90°
Cell volume	19575 ± 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	0.1068
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1907
Weighted residual factors for all reflections included in the refinement	0.215
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7216552.cif
121616	2014-08-08	cif/ Updating files of 7216550, 7216551, 7216552 Original log message: Adding full bibliography for 7216550--7216552.cif.	7216552.cif
116486	2014-06-13	cif/ Adding structures of 7216550, 7216551, 7216552 via cif-deposit CGI script.	7216552.cif