Crystallography Open Database

Information card for entry 7037088

Preview

Coordinates	7037088.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Corrole-BODIPY dyads
Chemical name	Corrole-BODIPY Hybrid
Formula	C85 H57 B2 F19 Ga N11
Calculated formula	C85 H57 B2 F19 Ga N11
SMILES	[Ga]123(n4c5=C(c6n1c(c(C1=c7[n](c(cc7C)C)[B](F)(F)n7c1c(C)cc7C)c6)c1n2c(C(c2c(F)c(F)c(F)c(F)c2F)=c2[n]3c(C(=c4cc5)c3c(F)c(F)c(F)c(F)c3F)cc2)c(c1)C1=c2[n](c(cc2C)C)[B](F)(F)n2c(cc(c12)C)C)c1c(F)c(F)c(F)c(F)c1F)([n]1ccccc1)[n]1ccccc1.c1ncccc1.c1(ccccc1)C
Title of publication	Gallium(iii)corrole-BODIPY hybrid: novel photophysical properties and first observation of B-FF interactions.
Authors of publication	Basumatary, Biju; Ramana Reddy, R. V.; Bhandary, Subhrajyoti; Sankar, Jeyaraman
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	48
Pages of publication	20817 - 20821
a	14.5257 ± 0.0016 Å
b	16.4162 ± 0.0018 Å
c	31.249 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7451.5 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1067
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
171148 (current)	2015-12-09	cif/ Updating files of 7037088, 7037089 Original log message: Adding full bibliography for 7037088--7037089.cif.	7037088.cif
170110	2015-11-06	cif/ Adding structures of 7037088, 7037089 via cif-deposit CGI script.	7037088.cif