Crystallography Open Database

Information card for entry 4101636

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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

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