Crystallography Open Database

Information card for entry 7232171

Preview

Coordinates	7232171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H68 Mn2.5 Mo12 N8 Na2 O71.5 P8
Calculated formula	C20 H36 Mn2.5 Mo12 N8 Na2 O71.5 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	14.6598 ± 0.0004 Å
b	13.3538 ± 0.0004 Å
c	22.0021 ± 0.0006 Å
α	90°
β	103.869 ± 0.003°
γ	90°
Cell volume	4181.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.231
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.	7232171.cif
213086	2019-01-16	cif/ Adding structures of 7232169, 7232170, 7232171, 7232172, 7232173, 7232174 via cif-deposit CGI script.	7232171.cif