Crystallography Open Database

Information card for entry 7225730

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Coordinates	7225730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78.1 H74.6 N3 O13 S1.95 Zn4
Calculated formula	C24 N3 O13 Zn4
Title of publication	Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications
Authors of publication	Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	30
Pages of publication	5710
a	25.8577 ± 0.0002 Å
b	25.8577 ± 0.0002 Å
c	25.8577 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	17289 ± 0.2 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1951
Weighted residual factors for all reflections included in the refinement	0.2064
Goodness-of-fit parameter for all reflections included in the refinement	1.227
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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