Crystallography Open Database

Information card for entry 7222285

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Coordinates	7222285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H82 Cu3 N4 O18.25
Calculated formula	C44 H66 Cu3 N4 O18.19
Title of publication	Can enantiomer ligands produce structurally distinct homochiral MOFs?
Authors of publication	Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	43
Pages of publication	8202
a	21.5599 ± 0.0003 Å
b	21.5599 ± 0.0003 Å
c	12.8974 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5995.09 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.133
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	0.94
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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