Crystallography Open Database

Information card for entry 4516604

Preview

Coordinates	4516604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H58 N8 O4 Si
Calculated formula	C62 H58 N8 O4 Si
Title of publication	Solution-Processable Silicon Phthalocyanines in Electroluminescent and Photovoltaic Devices.
Authors of publication	Zysman-Colman, Eli; Ghosh, Sanjay S.; Xie, Guohua; Varghese, Shinto; Chowdhury, Mithun; Sharma, Nidhi; Cordes, David B.; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.
Journal of publication	ACS applied materials & interfaces
Year of publication	2016
Journal volume	8
Journal issue	14
Pages of publication	9247 - 9253
a	11.313 ± 0.002 Å
b	12.132 ± 0.002 Å
c	19.504 ± 0.004 Å
α	90.596 ± 0.003°
β	103.058 ± 0.005°
γ	90.793 ± 0.004°
Cell volume	2607.2 ± 0.8 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.0631
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
239400 (current)	2019-11-24	cif/ Adding structures of 4516603, 4516604 via cif-deposit CGI script.	4516604.cif