Crystallography Open Database

Information card for entry 7022603

Preview

Coordinates	7022603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H60 Ag6 N12
Calculated formula	C90 H60 Ag6 N12
Title of publication	CFA-2 and CFA-3 (Coordination Framework Augsburg University-2 and -3); novel MOFs assembled from trinuclear Cu(I)/Ag(I) secondary building units and 3,3',5,5'-tetraphenyl-bipyrazolate ligands.
Authors of publication	Grzywa, Maciej; Geßner, Christof; Denysenko, Dmytro; Bredenkötter, Björn; Gschwind, Fabienne; Fromm, Katharina M.; Nitek, Wojciech; Klemm, Elias; Volkmer, Dirk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	19
Pages of publication	6909 - 6921
a	16.3399 ± 0.0003 Å
b	32.7506 ± 0.0004 Å
c	16.2624 ± 0.0003 Å
α	90°
β	107.382 ± 0.002°
γ	90°
Cell volume	8305.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0711
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation probe	x-ray
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
179931 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/26.	7022603.cif
90296	2013-11-17	cif/ Adding structures of 7022602, 7022603, 7022604 via cif-deposit CGI script.	7022603.cif