Crystallography Open Database

Information card for entry 1519382

1519381 << 1519382 >> 1519383

Preview

Coordinates	1519382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H79 B Cl N6 O13 S6
Calculated formula	C57.125 H71.485 B Cl0.25 N6 O13 S6
Title of publication	Taming C60fullerene: tuning intramolecular photoinduced electron transfer process with subphthalocyanines
Authors of publication	Rudolf, Marc; Trukhina, Olga; Perles, Josefina; Feng, Lai; Akasaka, Takeshi; Torres, Tomas; Guldi, Dirk M.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	7
Pages of publication	4141
a	17.809 ± 0.002 Å
b	18.594 ± 0.002 Å
c	22.412 ± 0.003 Å
α	73.894 ± 0.004°
β	83.175 ± 0.004°
γ	71.769 ± 0.003°
Cell volume	6768.1 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1661
Residual factor for significantly intense reflections	0.108
Weighted residual factors for significantly intense reflections	0.2951
Weighted residual factors for all reflections included in the refinement	0.3655
Goodness-of-fit parameter for all reflections included in the refinement	1.315
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
143325 (current)	2015-07-10	cif/ Updating files of 1519382 Original log message: Adding full bibliography for 1519382.cif.	1519382.cif
135786	2015-05-09	cif/ Adding structures of 1519382 via cif-deposit CGI script.	1519382.cif