Crystallography Open Database

Information card for entry 1548143

Preview

Coordinates	1548143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H56 I10 N8 Sn
Calculated formula	C16 H56 I10 N8 Sn
SMILES	[I-].[I-].[I-].[I-].[Sn](I)(I)([I-])([I-])([I-])[I-].[NH2+](CC[NH2+]C)C.[NH2+](CC[NH2+]C)C.[NH2+](C)CC[NH2+]C.[NH2+](CC[NH2+]C)C
Title of publication	Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.
Authors of publication	Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	3
Pages of publication	586 - 593
a	10.7464 ± 0.0007 Å
b	10.8924 ± 0.0007 Å
c	11.1796 ± 0.0007 Å
α	64.2658 ± 0.0007°
β	80.1825 ± 0.0007°
γ	72.8331 ± 0.0007°
Cell volume	1124.94 ± 0.12 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0178
Residual factor for significantly intense reflections	0.0155
Weighted residual factors for significantly intense reflections	0.0341
Weighted residual factors for all reflections included in the refinement	0.0349
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
228870 (current)	2019-11-17	cif/ Updating files of 1548141, 1548142, 1548143 Original log message: Adding full bibliography for 1548141--1548143.cif.	1548143.cif
203434	2017-11-22	cif/ Adding structures of 1548141, 1548142, 1548143 via cif-deposit CGI script.	1548143.cif