Crystallography Open Database

Information card for entry 7241315

Preview

Coordinates	7241315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cu2 N8 O6 V2
Calculated formula	C24 H20 Cu2 N8 O6 V2
Title of publication	A highly stable polyoxovanadate-based Cu(i)‒MOF for the carboxylative cyclization of CO2 with propargylic alcohols at room temperature
Authors of publication	Tian, Hong-Rui; Zhang, Zhong; Liu, Shu-Mei; Dang, Tian-Yi; Li, Zhuo; Lu, Ying; Liu, Shu-Xia
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	21
Pages of publication	7513 - 7520
a	11.6196 ± 0.0004 Å
b	12.0604 ± 0.0005 Å
c	12.2162 ± 0.0004 Å
α	63.651 ± 0.002°
β	75.955 ± 0.002°
γ	61.239 ± 0.002°
Cell volume	1343.91 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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