Crystallography Open Database

Information card for entry 4128234

Preview

Coordinates	4128234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H75 Mo9 N3 O31 P4
Calculated formula	C87 H75 Mo9 N3 O31 P4
SMILES	c1cccc[n]1[Mo]123([O]4=P56[O]78[Mo]9%10(O2)(=O)O[Mo]2%118(O[Mo]8(O[Mo]%12([n]%13ccccc%13)([O]6[Mo](O9)(O3)(=O)(=O)O%12)(=O)O2)(=O)(=O)[O]5[Mo]2(O[Mo]4(O[Mo]7(O2)(=O)(O%10)O%11)(=O)(=O)O1)([n]1ccccc1)(O8)=O)=O)=O.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
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	25.075 ± 0.0002 Å
b	25.075 ± 0.0002 Å
c	57.2801 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	31190.1 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1641
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	4128234.cif