Crystallography Open Database

Information card for entry 7244700

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Coordinates	7244700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44.73 Cu2.4 N4 O16.8
Calculated formula	C44 H44.5667 Cu2.4 N4 O16.8
Title of publication	Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands
Authors of publication	Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.
Journal of publication	CrystEngComm
Year of publication	2022
a	42.6882 ± 0.0013 Å
b	14.5716 ± 0.0006 Å
c	26.9781 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	16781.3 ± 1.1 Å³
Cell temperature	122.99 ± 0.11 K
Ambient diffraction temperature	122.99 ± 0.11 K
Number of distinct elements	5
Space group number	53
Hermann-Mauguin space group symbol	P m n a
Hall space group symbol	-P 2ac 2
Residual factor for all reflections	0.2532
Residual factor for significantly intense reflections	0.1797
Weighted residual factors for significantly intense reflections	0.4363
Weighted residual factors for all reflections included in the refinement	0.4904
Goodness-of-fit parameter for all reflections included in the refinement	1.488
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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