Crystallography Open Database

Information card for entry 7003209

Preview

Coordinates	7003209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 Br Cu3 N6 O2
Calculated formula	C31 H30 Br Cu3 N6 O2
Title of publication	Ferroelectric metal‒organic coordination polymer with a high dielectric constant
Authors of publication	Fu, Da-Wei; Ye, Heng-Yun; Ye, Qiong; Pan, Ke-Ji; Xiong, Ren-Gen
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	7
Pages of publication	874 - 877
a	21.5698 ± 0.0015 Å
b	19.212 ± 0.0013 Å
c	8.8873 ± 0.0006 Å
α	90°
β	106.125 ± 0.002°
γ	90°
Cell volume	3538 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.2514
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.1932
Weighted residual factors for all reflections included in the refinement	0.2696
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
179736 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/32.	7003209.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003209.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003209.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003209.cif