Crystallography Open Database

Information card for entry 7216036

Preview

Coordinates	7216036.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UHM-31
Formula	C34 H37 Cu3 F2 O19
Calculated formula	C18 H4.02 Cu3 F1.98 O15
Title of publication	Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks
Authors of publication	Peikert, K.; Hoffmann, F.; Fröba, M.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	2
Pages of publication	353
a	26.3136 ± 0.0001 Å
b	26.3136 ± 0.0001 Å
c	26.3136 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	18219.7 ± 0.12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.0668
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.2127
Weighted residual factors for all reflections included in the refinement	0.2212
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180491 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60.	7216036.cif
133127	2015-03-06	cif/ Updating files of 7216036, 7216037, 7216038 Original log message: Adding full bibliography for 7216036--7216038.cif.	7216036.cif
114132	2014-05-22	cif/ Adding structures of 7216036, 7216037, 7216038 via cif-deposit CGI script.	7216036.cif