Crystallography Open Database

Information card for entry 7061447

Preview

Coordinates	7061447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H36 Cu24 Mo10 N48 O116 Si V2
Calculated formula	C108 H36 Cu24 Mo9.9996 N48 O116 Si V2.0004
Title of publication	A self-assembly solvothermal synthesis of SiMoVn@[Cu6O(TZI)3(H2O)6]4·nH2O for the efficient selective oxidation of various alkylbenzenes
Authors of publication	Liu, Jiabin; Xin, Yuxiang; Bai, Yiyang; She, Wei; Wang, Jing; Li, Gaungming
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	19
Pages of publication	9229 - 9237
a	44.361 ± 0.005 Å
b	44.361 ± 0.005 Å
c	44.361 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	87298 ± 17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.2228
Weighted residual factors for all reflections included in the refinement	0.264
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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