Crystallography Open Database

Information card for entry 3000298

Preview

Coordinates	3000298.cif

Structure parameters

Formula	C24 H30 Cu3 Mo12 N20 O47 P
Calculated formula	C24 H17 Cu3 Mo12 N20 O47 P
Title of publication	Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers
Authors of publication	Shenzhen Chang
Journal of publication	To be published in ACS Applied Materials & Interfaces
Year of publication	2021
Journal volume	13
Pages of publication	XXXX
a	12.6464 ± 0.0006 Å
b	12.6737 ± 0.0005 Å
c	23.6803 ± 0.001 Å
α	83.41 ± 0.001°
β	84.635 ± 0.001°
γ	61.333 ± 0.001°
Cell volume	3304.9 ± 0.2 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.208
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
265104 (current)	2021-05-11	cif/ Updating files of 3000298 Original log message: Releasing structure 3000298 into public domain as published material.	3000298.cif
263967	2021-04-08	cif/ Adding structures of 3000298 via cif-deposit CGI script.	3000298.cif