Crystallography Open Database

Information card for entry 7210333

Preview

Coordinates	7210333.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cu_2_L1_4
Formula	C68 H32 Cu2 F20 O10
Calculated formula	C68 H32 Cu2 F20 O10
Title of publication	Arene‒perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers
Authors of publication	Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	31
Pages of publication	6122
a	9.0904 ± 0.0005 Å
b	26.7064 ± 0.0002 Å
c	17.9565 ± 0.0008 Å
α	90°
β	101.505 ± 0.001°
γ	90°
Cell volume	4271.7 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.2422
Weighted residual factors for all reflections included in the refinement	0.2472
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.71074 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180434 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/03.	7210333.cif
87601	2013-08-27	cif/ Adding structures of 7210332, 7210333 via cif-deposit CGI script.	7210333.cif