Crystallography Open Database

Information card for entry 7037089

Preview

Coordinates	7037089.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Corrole-BODIPY Diad
Chemical name	Corrole-BODIPY Hybrid
Formula	C91 H66 B2 F19 Ga N13
Calculated formula	C91 H66 B2 F19 Ga N13
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	16.26 ± 0.006 Å
b	17.452 ± 0.006 Å
c	29.954 ± 0.009 Å
α	90°
β	97.616 ± 0.011°
γ	90°
Cell volume	8425 ± 5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7037089.cif
170110	2015-11-06	cif/ Adding structures of 7037088, 7037089 via cif-deposit CGI script.	7037089.cif