Crystallography Open Database

Information card for entry 4349709

Preview

Coordinates	4349709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H22 Cr Mo6 N3 O24
Calculated formula	C8 H22 Cr Mo6 N3 O24
SMILES	[Mo]123([O]45[Mo]67(O[Mo]84([O]49[Mo]%10([O]%11%12[Mo]%13(O[Mo]%14%11(=O)([O]%10CC(C[O]%14[Cr]45%10%12[O]6CC(C[O]1%13%10)([NH3+])C[O]37)([NH3+])C9)=O)(O2)(=O)=O)(=O)(O8)=O)(=O)=O)(=O)=O)(=O)=O.[NH4+]
Title of publication	β-{Cr[RC(CH2O)3]2Mo6O18}3−: the first organically-functionalized β isomer of Anderson-type polyoxometalates
Authors of publication	Zhang, Jiangwei; Huang, Yichao; Hao, Jian; Wei, Yongge
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	7
Pages of publication	1215
a	26.997 ± 0.003 Å
b	17.922 ± 0.002 Å
c	16.364 ± 0.002 Å
α	90°
β	109.86 ± 0.014°
γ	90°
Cell volume	7446.7 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
235756 (current)	2019-11-24	cif/ Adding structures of 4349708, 4349709 via cif-deposit CGI script.	4349709.cif