Crystallography Open Database

Information card for entry 7033330

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Coordinates	7033330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Cu2 N4 O9
Calculated formula	C22 H14 Cu2 N4 O9
Title of publication	A porous metal-organic framework containing multiple active Cu(2+) sites for highly efficient cross dehydrogenative coupling reaction.
Authors of publication	Zhu, Shu-Lan; Ou, Sha; Zhao, Min; Shen, Hong; Wu, Chuan-De
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	5
Pages of publication	2038 - 2041
a	17.2044 ± 0.0009 Å
b	25.9374 ± 0.0014 Å
c	14.6116 ± 0.0008 Å
α	90°
β	100.672 ± 0.006°
γ	90°
Cell volume	6407.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0881
Weighted residual factors for significantly intense reflections	0.2086
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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