Crystallography Open Database

Information card for entry 7706257

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Coordinates	7706257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 N2 O6
Calculated formula	C21 H22 N2 O6
Title of publication	CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.
Authors of publication	Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	44
Pages of publication	15758 - 15768
a	9.7978 ± 0.0003 Å
b	12.4501 ± 0.0004 Å
c	7.9839 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	973.9 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260510 (current)	2021-01-05	cif/ Adding structures of 7706253, 7706254, 7706255, 7706256, 7706257 via cif-deposit CGI script.	7706257.cif