Crystallography Open Database

Information card for entry 4128235

Preview

Coordinates	4128235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H15 Mo9 N6 O31 P
Calculated formula	C63 H15 Mo9 N6 O31 P
SMILES	c1cccc[n]1[Mo]123(=O)O[Mo]45(=O)(=O)O[Mo]67([n]8ccccc8)(=O)O[Mo]89(=O)(=O)O[Mo]%10%11([n]%12ccccc%12)(=O)O[Mo]%12(=O)(=O)(O1)[O]%10=P([O]24)([O]68)[O]12[Mo]4(O5)(O7)(=O)O[Mo]1(O3)(O%12)(=O)O[Mo]2(O%11)(O9)(=O)O4.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
Title of publication	Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.
Authors of publication	Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	19
Pages of publication	7687 - 7692
a	18.4306 ± 0.0002 Å
b	21.7192 ± 0.0002 Å
c	26.7317 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10700.6 ± 0.19 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1612
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
221363 (current)	2019-11-03	cif/ Adding structures of 4128234, 4128235, 4128236, 4128237, 4128238 via cif-deposit CGI script.	4128235.cif