Crystallography Open Database

Information card for entry 4500550

Preview

Coordinates	4500550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H58 Co3 F24 N2 O16
Calculated formula	C81 H58 Co3 F24 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	13.4077 ± 0.0008 Å
b	25.5075 ± 0.0016 Å
c	13.7566 ± 0.0009 Å
α	90°
β	114.712 ± 0.001°
γ	90°
Cell volume	4273.9 ± 0.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	0.867
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4500550.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500550.cif
34543	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500550 via cif-deposit CGI script.	4500550.cif