Crystallography Open Database

Information card for entry 7120853

7120852 << 7120853 >> 7120854

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Coordinates	7120853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C450 H618 Eu4 N48 S44
Calculated formula	C450 H618 Eu4 N48 S44
SMILES	[Eu]123456([n]7c8N=c9n1c(=Nc1[n]3c(=Nc3n2c(N=c7c2c8cc(SCCCCCC)c(SCCCCCC)c2)c2c3cc(SCCCCCC)c(SCCCCCC)c2)c2c1cc(SCCCCCC)c(SCCCCCC)c2)c1c9cc(SCCCCCC)c(SCCCCCC)c1)[n]12[Eu]3789%10([n]%114c4N=c%12[n]53c(=Nc3[n]67c(=Nc1c1cc(SCCCCCC)c(SCCCCCC)cc1c2N=c%11c1cc(SCCCCCC)c(SCCCCCC)cc41)c1c3cc(SCCCCCC)c(SCCCCCC)c1)c1c%12cc(SCCCCCC)c(SCCCCCC)c1)n1c2=Nc3[n]8c(=Nc4n9c(N=c5[n]%10c(N=c1c1c2Cc2c(c6[n]7[Eu]89%10%11%12([n]%13%14c%15N=c%16[n]%178[Eu]8%18%19%20%13(n%13c%21=Nc%22[n]%19c(=Nc%19n%18c(N=c%18[n]8c(N=c%13c8c%21cc(SCCCCCC)c(SCCCCCC)c8)c8cc(SCCCCCC)c(SCCCCCC)cc%188)c8c%19cc(SCCCCCC)c(SCCCCCC)c8)c8cc(SCCCCCC)c(SCCCCCC)cc%228)[n]89c(N=c%17c9c%16cc(SCCCCCC)c(SCCCCCC)c9)c9cc(SCCCCCC)c(SCCCCCC)cc9c8=Nc8c9cc(SCCCCCC)c(SCCCCCC)cc9c([n]%10%208)N=c%14c8cc(SCCCCCC)c(SCCCCCC)cc%158)n8c(=Nc9[n]%11c(=Nc%10n%12c(N=c27)c2c%10cc(SCCCCCC)c(SCCCCCC)c2)c2cc(SCCCCCC)c(SCCCCCC)cc92)c2cc(SCCCCCC)c(SCCCCCC)cc2c8=N6)c1)c1c5cc(SCCCCCC)c(SCCCCCC)c1)c1cc(SCCCCCC)c(SCCCCCC)cc41)c1cc(SCCCCCC)c(SCCCCCC)cc31
Title of publication	Solution-processed single crystal microsheets of a novel dimeric phthalocyanine-involved triple-decker for high-performance ambipolar organic field effect transistors
Authors of publication	Jiang, Jianzhuang; Lu, Guang; Chen, Yanli; Kong, Xia; Sun, Junshan; Zhang, Liangliang
Journal of publication	Chemical Communications
Year of publication	2017
a	18.4066 ± 0.0003 Å
b	26.4212 ± 0.0006 Å
c	27.4788 ± 0.0006 Å
α	106.338 ± 0.002°
β	108.689 ± 0.002°
γ	102.171 ± 0.002°
Cell volume	11462.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1408
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2055
Weighted residual factors for all reflections included in the refinement	0.2378
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202871 (current)	2017-11-07	cif/ Adding structures of 7120853 via cif-deposit CGI script.	7120853.cif