Crystallography Open Database

Information card for entry 7114679

Preview

Coordinates	7114679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H43 B3 Cl3 Cu2 F12 N8 O2.5
Calculated formula	C45 H38 B3 Cl3 Cu2 F12 N8 O3.5
Title of publication	Interlinked molecular squares with [Cu(2,2′-bipy)]2+ corners generating a three-dimensional network of unprecedented topological type
Authors of publication	Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	13
Pages of publication	1198
a	11.457 ± 0.005 Å
b	40.814 ± 0.017 Å
c	14.502 ± 0.006 Å
α	90°
β	111.424 ± 0.009°
γ	90°
Cell volume	6313 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.1194
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for all reflections	0.279
Weighted residual factors for significantly intense reflections	0.2436
Goodness-of-fit parameter for all reflections	1.073
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114679.cif
118279	2014-06-29	cif/ Adding structures of 7114678, 7114679 via cif-deposit CGI script.	7114679.cif