Crystallography Open Database

Information card for entry 4126340

Preview

Coordinates	4126340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H310 K1.5 Na0.5 O217 P2 Rb4 W18
Calculated formula	C144 K0.5 Na0.5 O207.5 P2 Rb3 W18
SMILES	[W]1234(=O)O[W]567(=O)O[W]89%10(O[W]%11%12%13(O[W]%14(O2)(O6)(=O)O[W]26%15(O[W]%16%17([O]%183P3(=[O]7[W]7%19(O5)(O[W]%18(O1)(=O)(O[W]15(=O)(O[W]%18%20(O[W]%21%22(O[W](O%16)(O6)(=O)(O1)[O]35)(=O)O[W]1(O%12)([O]%13=P3([O]56[W]%12(O%11)(O8)(=O)O[W]6(O[W](O%19)(=O)(O%18)(O9)[O]%103)(O%20)(=O)O[W]5(O%21)(O1)(=O)O%12)O%22)(O2)=O)=O)O7)O%17)=O)[O]%14%15)(=O)O4)=O)=O)=O.O1[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@@H]1[C@H](O)[C@H]2O)CO)CO)CO)CO)CO)CO)CO)CO.[Rb+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O1[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@@H]1[C@H](O)[C@H]2O)CO)CO)CO)CO)CO)CO)CO)CO.[Rb+].O.O.O.O.O.O.O.O.O.O1[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@@H]1[C@H](O)[C@H]2O)CO)CO)CO)CO)CO)CO)CO)CO.[Rb+].O.O.O.O.O.O
Title of publication	Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.
Authors of publication	Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	21.1963 ± 0.0004 Å
b	21.1963 ± 0.0004 Å
c	35.505 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	13814.7 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200095 (current)	2017-09-02	cif/ Adding structures of 4126340 via cif-deposit CGI script.	4126340.cif