Crystallography Open Database

Information card for entry 4101635

Preview

Coordinates	4101635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Cl I3 N2 Pb
Calculated formula	C12 H10 Cl I3 N2 Pb
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	20.025 ± 0.003 Å
b	20.025 ± 0.003 Å
c	7.975 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	2769.5 ± 0.8 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	0.0974
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	4101635.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101635.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101635.cif
21860	2011-06-29	../uploads/cif-deposit/cod/cif Adding structures of 4101635 via cif-deposit CGI script.	4101635.cif