Crystallography Open Database

Information card for entry 7227204

Preview

Coordinates	7227204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H124 Mo24 N24 O116 Sb4
Calculated formula	C36 H12 Mo24 O108 Sb4
SMILES	C12c3cc4C5=[O][Mo]67(O[Mo]8(O[Mo]9%10(O[Mo]%11%12(O[Mo]%13%14(O[Mo](O6)([O]%13[Sb]([O]78)[O]9%11)(=O)(=O)[O]=C(c6cc7cc(C8=[O][Mo]9%11(O[Mo]%13([O]%11[Sb]%11[O]%15[Mo](O[Mo]%15(O9)(=O)(=O)[O]=2)(=O)(=O)(O[Mo]29(O[Mo](=O)(=O)(O%13)([O]%112)[O]=C(c2cc%11C%13=[O][Mo]%15%16(O[Mo]%17(O[Mo]%18%19(O[Mo]%20(O[Mo]%21%22(O[Mo](O%15)([O]%21[Sb]([O]%16%17)[O]%18%20)(=O)(=O)[O]=C(c(c3)c4)O%22)(=O)=O)(=O)(=O)[O]=C(c3cc(C4=[O][Mo]%15%16(O[Mo]%17(O[Mo]%18%20(O[Mo]%21(O[Mo]%22%23(O[Mo](O%15)([O]%22[Sb]([O]%16%17)[O]%18%21)(=O)(=O)[O]=C7O%23)(=O)=O)(=O)(=O)[O]=C(c(c2)c%11)O%20)(=O)=O)(=O)(=O)O4)(=O)=O)cc(C(=[O]%10)O%12)c3)O%19)(=O)=O)(=O)(=O)O%13)(=O)=O)O9)(=O)=O)O1)(=O)(=O)O8)(=O)=O)c6)O%14)(=O)=O)(=O)=O)(=O)=O)(=O)(=O)O5)(=O)=O
Title of publication	Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties
Authors of publication	Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	2
Pages of publication	207
a	36.2075 ± 0.0012 Å
b	36.2075 ± 0.0012 Å
c	36.2075 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	47467 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
191548 (current)	2017-02-04	cif/ Updating files of 7227202, 7227203, 7227204, 7227205 Original log message: Adding full bibliography for 7227202--7227205.cif.	7227204.cif
188793	2016-12-01	cif/ Adding structures of 7227202, 7227203, 7227204, 7227205 via cif-deposit CGI script.	7227204.cif