Crystallography Open Database

Information card for entry 7220322

7220321 << 7220322 >> 7220323

Preview

Coordinates	7220322.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(TT-TTF)3(PMo12O40)
Chemical name	(TT-TTF)3(PMo12O40)
Formula	C67 H36 Cl2 Mo12 O40 P S36
Calculated formula	C67 H36 Cl2.01 Mo12 O40 P S36
Title of publication	Honeycomb supramolecular frameworks of organic‒inorganic hybrid cluster composed of cation radical and Keggin-type polyoxometalate
Authors of publication	Zhang, Shangxi; Lu, Xiaofeng; Sun, Jibin; Zhao, Yali; Shao, Xiangfeng
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	22
Pages of publication	4110
a	23.7742 ± 0.0003 Å
b	23.7742 ± 0.0003 Å
c	13.7571 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	6733.94 ± 0.16 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0569
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220322.cif
138515	2015-06-07	cif/ Updating files of 7220322 Original log message: Adding full bibliography for 7220322.cif.	7220322.cif
135829	2015-05-09	cif/ Adding structures of 7220322 via cif-deposit CGI script.	7220322.cif