Crystallography Open Database

Information card for entry 7224666

Preview

Coordinates	7224666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H72 As2 K7 N3 Na10 O115 Sn4 W22
Calculated formula	C13 H22 As2 K7 N3 Na10 O115 Sn4 W22
SMILES	[W]1234(O[Sn]567(O[W]89%10([O]1[W]1%11%12(=O)O[Sn]%13%14(O[W]%15%16%17(O[W]%18%19(O[W]%20%21(O[W]%22%23%24(O[Sn]%25(O[W]%26%27(O%22)(O[W]%22%28%29(O[W]%30(=O)(O[W](O%20)([O]%21%23[As]([O]%15%19%30)[O]%26%28[W](O%22)(O%13)(O%27)(=O)O%17)(O%24)(O%29)=O)(O%18)O%16)=O)=O)(O4)(O%12)OC(=O)CC%25)=O)(=O)=O)(=O)=O)=O)(O[W]([O]21)([O]38)([O]9%11)(=O)O[Sn]12(O[W]348(O[W]9%11%12(O[W]%13(=O)(O[W]%15%16(=O)([O]%17%18[W]%19(O[W]%17(O9)(O[W]9%17(O[W]%20([O]%17([W](O9)(O%19)(O%20)(=O)O6)[As]%18[O]8%11%13)(O4)(O1)=O)(=O)O%12)(O%15)=O)(O5)(=O)O%16)=O)(O3)=O)=O)=O)(O%10)OC(=O)CC2)OC(=O)CC%14)=O)OC(=O)CC7)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[NH2+]=C(N)N.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	A new boat-like tungstoarsenate functionalized by carboxyethyltin and its catalytic properties
Authors of publication	Ji, Li-Ping; Du, Jing; Li, Jian-Sheng; Zhang, Lan-Cui; Sang, Xiao-Jing; Yang, He; Cui, Hong-Juan; Zhu, Zai-Ming
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	34
Pages of publication	28956
a	11.9822 ± 0.0016 Å
b	22.5 ± 0.003 Å
c	25.497 ± 0.003 Å
α	69.912 ± 0.002°
β	82.904 ± 0.002°
γ	86.609 ± 0.002°
Cell volume	6405.3 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
178866 (current)	2016-03-22	cif/ Adding structures of 7224666 via cif-deposit CGI script.	7224666.cif