Crystallography Open Database

Information card for entry 4101636

Preview

Coordinates	4101636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 F3 I9 N6 Pb3
Calculated formula	C36 H30 F3 I9 N6 Pb3
Title of publication	Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.
Authors of publication	Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Journal issue	1
Pages of publication	18 - 19
a	19.9426 ± 0.0006 Å
b	19.9426 ± 0.0006 Å
c	7.8618 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	2707.8 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	0.888
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
178762 (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 4/10/16.	4101636.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101636.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101636.cif
21861	2011-06-29	../uploads/cif-deposit/cod/cif Adding structures of 4101636 via cif-deposit CGI script.	4101636.cif