Crystallography Open Database

Information card for entry 1557710

Preview

Coordinates	1557710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H165 Co Na O252 P3 W36
Calculated formula	C144 H165 Co Na O252 P3 W36
SMILES	[C@H]1([C@H]([C@H]2[C@@H](CO)O[C@@H]1O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]3[C@H](O)[C@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]5[C@@H]([C@H]([C@H](O[C@@H]5CO)O[C@H]5[C@@H]([C@H]([C@H](O[C@@H]5CO)O2)O)O)O)O)O[C@@H]4CO)O)O)O[C@@H]3CO)O)O[C@@H]1CO)O)O)O)O)O)O)O)O.O1[W]23(O[W]45(O[W]67(O[W]8(O[W]9%10(O[W]%11%12(O[W]%131(=O)([O]=P1(O[W]%14(=O)(O9)(O[W](O[W]9(=O)(O[W](O6)(O[W](O%11)(=O)(O%13)O9)(O1)(=O)O4)O%14)(O7)(O8)=O)O%12)O%10)O5)=O)(=O)O2)(=O)O3)=O)=O)=O.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Na+].O[C@H]1[C@@H]2O[C@@H]([C@H]([C@@H]1O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]3[C@@H]([C@@H](O)[C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O2)O)O)O)O)CO)O)O)O)O)O)[C@@H](CO)O1)O)O)CO.O.O.[C@H]1([C@H]([C@H]2[C@@H](CO)O[C@@H]1O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]3[C@H](O)[C@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]5[C@@H]([C@H]([C@H](O[C@@H]5CO)O[C@H]5[C@@H]([C@H]([C@H](O[C@@H]5CO)O2)O)O)O)O)O[C@@H]4CO)O)O)O[C@@H]3CO)O)O[C@@H]1CO)O)O)O)O)O)O)O)O.O1[W]23(O[W]45(O[W]67(O[W]8(O[W]9%10(O[W]%11%12(O[W]%131(=O)([O]=P1(O[W]%14(=O)(O9)(O[W](O[W]9(=O)(O[W](O6)(O[W](O%11)(=O)(O%13)O9)(O1)(=O)O4)O%14)(O7)(O8)=O)O%12)O%10)O5)=O)(=O)O2)(=O)O3)=O)=O)=O.O1[W]23(O[W]45(O[W]67(O[W]8(O[W]9%10(O[W]%11%12(O[W]%131(=O)([O]=P1(O[W]%14(=O)(O9)(O[W](O[W]9(=O)(O[W](O6)(O[W](O%11)(=O)(O%13)O9)(O1)(=O)O4)O%14)(O7)(O8)=O)O%12)O%10)O5)=O)(=O)O2)(=O)O3)=O)=O)=O.O.O.O.O
Title of publication	A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate.
Authors of publication	Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong
Journal of publication	Nanoscale
Year of publication	2020
Journal volume	12
Journal issue	18
Pages of publication	10166 - 10171
a	41.7665 ± 0.0008 Å
b	41.7665 ± 0.0008 Å
c	41.7665 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	72859 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.01 K
Number of distinct elements	7
Space group number	197
Hermann-Mauguin space group symbol	I 2 3
Hall space group symbol	I 2 2 3
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
252852 (current)	2020-06-05	cif/ Updating files of 1557709, 1557710 Original log message: Adding full bibliography for 1557709--1557710.cif.	1557710.cif
249951	2020-04-02	cif/ Adding structures of 1557709, 1557710 via cif-deposit CGI script.	1557710.cif