Crystallography Open Database

Information card for entry 7114678

Preview

Coordinates	7114678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H57 B3 Cl Cu2 F12 N8 O8.5
Calculated formula	C44 H40 B3 Cl Cu2 F12 N8 O6.5
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	21.479 ± 0.002 Å
b	21.479 ± 0.002 Å
c	29.303 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	13519 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.179
Residual factor for significantly intense reflections	0.0982
Weighted residual factors for all reflections	0.3268
Weighted residual factors for significantly intense reflections	0.245
Goodness-of-fit parameter for all reflections	1.097
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
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.	7114678.cif
118279	2014-06-29	cif/ Adding structures of 7114678, 7114679 via cif-deposit CGI script.	7114678.cif