Crystallography Open Database

Information card for entry 3000296

Preview

Coordinates	3000296.cif

Structure parameters

Formula	C36 H35 Cu6 Mo12 N30 O44 P
Calculated formula	C36 H24 Cu6 Mo12 N30 O44 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	11.9921 ± 0.0009 Å
b	12.3662 ± 0.001 Å
c	13.916 ± 0.0011 Å
α	100.178 ± 0.002°
β	98.5 ± 0.002°
γ	113.148 ± 0.0017°
Cell volume	1813.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.071
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
264832 (current)	2021-05-04	cif/ Updating files of 3000296 Original log message: Releasing structure 3000296 into public domain as published material.	3000296.cif
263965	2021-04-08	cif/ Adding structures of 3000296 via cif-deposit CGI script.	3000296.cif