Crystallography Open Database

Information card for entry 3000299

Preview

Coordinates	3000299.cif

Structure parameters

Formula	C24 H33 Cu3 N20 O48 P W12
Calculated formula	C24 H16 Cu3 N20 O48 P W12
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	22.637 ± 0.002 Å
b	13.9114 ± 0.0014 Å
c	20.363 ± 0.003 Å
α	90°
β	98.915 ± 0.004°
γ	90°
Cell volume	6335.1 ± 1.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	7
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	0.0492
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1.216
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
264833 (current)	2021-05-04	cif/ Updating files of 3000299 Original log message: Releasing structure 3000299 into public domain as published material.	3000299.cif
263968	2021-04-08	cif/ Adding structures of 3000299 via cif-deposit CGI script.	3000299.cif