Crystallography Open Database

Information card for entry 4106567

Preview

Coordinates	4106567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H34 B F4 N O7
Calculated formula	C19 H34 B F4 N O7
Title of publication	Supramolecular Bola-Like Ferroelectric: 4-Methoxyanilinium Tetrafluoroborate-18-crown-6
Authors of publication	Da-Wei Fu; Wen Zhang; Hong-Ling Cai; Yi Zhang; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12780 - 12786
a	15.989 ± 0.003 Å
b	11.336 ± 0.002 Å
c	12.676 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2297.5 ± 0.8 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106567.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106567.cif
53369	2012-04-19	cif/ Adding structures of 4106567 via cif-deposit CGI script.	4106567.cif