Crystallography Open Database

Information card for entry 4511759

Preview

Coordinates	4511759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H126 Co2 Fe4 N6 O26
Calculated formula	C80 H126 Co1.98 Fe4.02 N6 O26
Title of publication	Interpenetrated (8,3)-c and (10,3)-b Metal‒Organic Frameworks Based on {FeIII3} and {FeIII2CoII} Pivalate Spin Clusters
Authors of publication	Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch.; Filippova, Irina G.; Hauser, Jürg; Speldrich, Manfred; Hermann, Raphaël P.; Krämer, Karl W.; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	9
Pages of publication	4721
a	25.5845 ± 0.0007 Å
b	24.5597 ± 0.0007 Å
c	19.0518 ± 0.0007 Å
α	90°
β	105.291 ± 0.004°
γ	90°
Cell volume	11547.4 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0936
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1942
Weighted residual factors for all reflections included in the refinement	0.2119
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
179664 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/17.	4511759.cif
122851	2014-09-06	cif/ Updating files of 4511759, 4511760 Original log message: Adding full bibliography for 4511759--4511760.cif.	4511759.cif
122187	2014-08-19	cif/ Adding structures of 4511759 via cif-deposit CGI script.	4511759.cif