Crystallography Open Database

Information card for entry 7243739

Preview

Coordinates	7243739.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	BWCu
Formula	C18 H48 B Cu3 K3 N24 O66 W12
Calculated formula	C18 H18 B Cu3 K3 N24 O66 W12
Title of publication	Polyoxometalate-based supramolecular porous frameworks with dual-active centers towards highly efficient synthesis of functionalized p-benzoquinones
Authors of publication	Chang, Shenzhen; Chen, Yanhong; An, Haiyan; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	21
Pages of publication	8591 - 8603
a	35.1668 ± 0.0009 Å
b	35.1668 ± 0.0009 Å
c	20.227 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	21663.5 ± 1 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	1.35
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
270462 (current)	2021-11-06	cif/ Updating files of 7243739, 7243740 Original log message: Adding full bibliography for 7243739--7243740.cif.	7243739.cif
269929	2021-10-14	cif/ Adding structures of 7243739, 7243740 via cif-deposit CGI script.	7243739.cif