Crystallography Open Database

Information card for entry 7216550

Preview

Coordinates	7216550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu17 H290 Mo46 N19 Na O317 V18
Calculated formula	Cu17 Mo46 Na O310 V18
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	28.2107 ± 0.0014 Å
b	23.9375 ± 0.0012 Å
c	26.1899 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	17685.9 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1454
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216550.cif
121616	2014-08-08	cif/ Updating files of 7216550, 7216551, 7216552 Original log message: Adding full bibliography for 7216550--7216552.cif.	7216550.cif
116486	2014-06-13	cif/ Adding structures of 7216550, 7216551, 7216552 via cif-deposit CGI script.	7216550.cif