Crystallography Open Database

Information card for entry 4514464

Preview

Coordinates	4514464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H45 Cl2 Cu4 N28 O50 P W12
Calculated formula	C36 H24 Cl2 Cu4 N28 O50.564 P W12
Title of publication	Multiunit Catalysts with Synergistic Reactivity: Three-Dimensional Polyoxometalate-Based Coordination Polymers for Highly Efficient Synthesis of Functionalized <i>p</i>-Benzoquinones.
Authors of publication	Chang, Shenzhen; An, Haiyan; Chen, Yanhong; Hou, Yujiao; Zhang, Jie; Zhu, Qingshan
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	41
Pages of publication	37908 - 37919
a	10.8516 ± 0.0002 Å
b	12.9946 ± 0.0003 Å
c	27.6264 ± 0.0007 Å
α	90°
β	99.212 ± 0.001°
γ	90°
Cell volume	3845.42 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
219653 (current)	2019-10-28	cif/ Adding structures of 4514464 via cif-deposit CGI script.	4514464.cif