Crystallography Open Database

Information card for entry 7233761

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Coordinates	7233761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 Cu2 N8 O9
Calculated formula	C33 H24 Cu2 N8 O9
Title of publication	Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses
Authors of publication	Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	43
Pages of publication	6523
a	13.7136 ± 0.0004 Å
b	13.227 ± 0.0005 Å
c	15.1795 ± 0.0005 Å
α	90°
β	93.415 ± 0.003°
γ	90°
Cell volume	2748.52 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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