Crystallography Open Database

Information card for entry 7110280

Preview

Coordinates	7110280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H66 B3 Cu3 F12 N28 O5
Calculated formula	C84.24 H48 B3 Cu3 F12 N28.08 O4.998
Title of publication	Three-dimensional metal?organic framework with (3,4)-connected net, synthesized from an ionic liquid mediumElectronic supplementary information (ESI) available: IR, XRD, TGA, details of data collection and structure refinements, as well as additional figures related to the framework. See http://www.rsc.org/suppdata/cc/b4/b403001j/
Authors of publication	Dybtsev, Danil N.; Chun, Hyungphil; Kim, Kimoon
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	14
Pages of publication	1594 - 1595
a	28.019 ± 0.003 Å
b	28.019 ± 0.003 Å
c	28.019 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	21997 ± 4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.1082
Residual factor for significantly intense reflections	0.0966
Weighted residual factors for significantly intense reflections	0.2772
Weighted residual factors for all reflections included in the refinement	0.2993
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
180216 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/02.	7110280.cif
94340	2014-01-23	cif/ Adding structures of 7110280 via cif-deposit CGI script.	7110280.cif