Crystallography Open Database

Information card for entry 4500548

Preview

Coordinates	4500548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H60 F24 Mn3 N2 O16
Calculated formula	C80 H60 F24 Mn3 N2 O16
Title of publication	Amine-Templated Anionic Metal‒Organic Frameworks with the 4,4′-(Hexafluoroisopropylidene) Bis(benzoic acid) Ligand
Authors of publication	Wang, Xiqu; Liu, Lumei; Conato, Marlon; Jacobson, Allan J.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2257
a	20.159 ± 0.003 Å
b	18.84 ± 0.003 Å
c	21.336 ± 0.003 Å
α	90°
β	92.694 ± 0.003°
γ	90°
Cell volume	8094 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1358
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179536 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/05.	4500548.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500548.cif
34541	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500548 via cif-deposit CGI script.	4500548.cif