Crystallography Open Database

Information card for entry 4349509

Preview

Coordinates	4349509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H41 Cl4 In2 N9 O6
Calculated formula	C54 H41 Cl4 In2 N9 O6
Title of publication	Self-assembly of two supramolecular indium(iii) metal‒organic frameworks for reversible iodine capture and large band gap change semiconductor behavior
Authors of publication	Du, Xi; Fan, Ruiqing; Fan, Jizhuang; Qiang, Liangsheng; Song, Yang; Dong, Yuwei; Xing, Kai; Wang, Ping; Yang, Yulin
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	11
Pages of publication	1480
a	14.9345 ± 0.0007 Å
b	21.389 ± 0.001 Å
c	17.4012 ± 0.0009 Å
α	90°
β	92.797 ± 0.002°
γ	90°
Cell volume	5551.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1294
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1543
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
234838 (current)	2019-11-23	cif/ Adding structures of 4349508, 4349509 via cif-deposit CGI script.	4349509.cif