Crystallography Open Database

Information card for entry 7126939

Preview

Coordinates	7126939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H44 Br2 N2 S2 Sn
Calculated formula	C38 H44 Br2 N2 S2 Sn
Title of publication	Aggregation induced emission - emissive stannoles in the solid state.
Authors of publication	Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	68
Pages of publication	9775 - 9778
a	18.204 ± 0.003 Å
b	9.6686 ± 0.0013 Å
c	22.537 ± 0.003 Å
α	90°
β	112.803 ± 0.013°
γ	90°
Cell volume	3656.7 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0457
Weighted residual factors for all reflections included in the refinement	0.0505
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
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
256015 (current)	2020-09-06	cif/ Updating files of 7126937, 7126938, 7126939, 7126940 Original log message: Adding full bibliography for 7126937--7126940.cif.	7126939.cif
254413	2020-07-21	cif/ Adding structures of 7126937, 7126938, 7126939, 7126940 via cif-deposit CGI script.	7126939.cif