Crystallography Open Database

Information card for entry 7046294

Preview

Coordinates	7046294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 Br3 N3 O8 Pb2
Calculated formula	C22 H32 Br3 N3 O8 Pb2
Title of publication	Dual emissions and thermochromic luminescences of isomorphic chiral twofold interpenetrated 3-D nets built from I<sup>1</sup>O<sup>2</sup> type hybrid inorganic-organic frameworks of [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>3</sub>[Pb<sub>2</sub>X<sub>3</sub>(BDC)<sub>2</sub>] (X = Br, I).
Authors of publication	Liu, Shao-Xian; Yuan, Guo-Jun; Zhai, Lu; Wang, Lifeng; Luo, Hong-Bin; Ren, Xiao-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	40
Pages of publication	14233 - 14240
a	13.8177 ± 0.0005 Å
b	13.8177 ± 0.0005 Å
c	16.3601 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3123.6 ± 0.3 Å³
Cell temperature	295.15 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229734 (current)	2019-11-17	cif/ Updating files of 7046294, 7046295, 7046296 Original log message: Adding full bibliography for 7046294--7046296.cif.	7046294.cif
207707	2018-05-09	cif/ Adding structures of 7046294, 7046295, 7046296 via cif-deposit CGI script.	7046294.cif