Crystallography Open Database

Information card for entry 7232172

Preview

Coordinates	7232172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H58 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8
Calculated formula	C3 H39 Mn2.5 Mo12 N5.5 Na4.5 O72.5 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	13.3983 ± 0.0001 Å
b	13.3983 ± 0.0001 Å
c	38.3301 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6880.81 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	8
Space group number	95
Hermann-Mauguin space group symbol	P 43 2 2
Hall space group symbol	P 4cw 2c
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
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.	7232172.cif
213086	2019-01-16	cif/ Adding structures of 7232169, 7232170, 7232171, 7232172, 7232173, 7232174 via cif-deposit CGI script.	7232172.cif