Crystallography Open Database

Information card for entry 7232173

Preview

Coordinates	7232173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H80 Mn2 Mo12 N7 Na O68 P8
Calculated formula	H14 Mn2 Mo12 Na O63 P8
Title of publication	Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates
Authors of publication	Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	6
Pages of publication	971
a	16.333 ± 0.002 Å
b	21.724 ± 0.003 Å
c	21.913 ± 0.003 Å
α	90°
β	92.836 ± 0.002°
γ	90°
Cell volume	7765.6 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
223596 (current)	2019-11-07	cif/ Updating files of 7232169, 7232170, 7232171, 7232172, 7232173, 7232174 Original log message: Adding full bibliography for 7232169--7232174.cif.	7232173.cif
213086	2019-01-16	cif/ Adding structures of 7232169, 7232170, 7232171, 7232172, 7232173, 7232174 via cif-deposit CGI script.	7232173.cif