Crystallography Open Database

Information card for entry 7239605

Preview

Coordinates	7239605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 Cu2 N8 O14 V5
Calculated formula	C20 H30 Cu2 N8 O14 V5
Title of publication	A multicentre synergistic polyoxometalate-based metal‒organic framework for one-step selective oxidative cleavage of β-O-4 lignin model compounds
Authors of publication	Tian, Hong-Rui; Liu, Yi-Wei; Zhang, Zhong; Liu, Shu-Mei; Dang, Tian-Yi; Li, Xiao-Hui; Sun, Xiu-Wei; Lu, Ying; Liu, Shu-Xia
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	1
Pages of publication	248 - 255
a	22.7662 ± 0.0011 Å
b	12.1453 ± 0.0005 Å
c	24.9282 ± 0.0011 Å
α	90°
β	98.796 ± 0.002°
γ	90°
Cell volume	6811.6 ± 0.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	294.9 K
Number of distinct elements	6
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	0.06
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
257575 (current)	2020-10-06	cif/ Updating files of 7239605 Original log message: Adding full bibliography for 7239605.cif.	7239605.cif
247759	2020-02-04	cif/ Updating files of 7239605 Original log message: Adding full bibliography for 7239605.cif.	7239605.cif
244824	2019-11-30	cif/ Adding structures of 7239605 via cif-deposit CGI script.	7239605.cif