Crystallography Open Database

Information card for entry 4330386

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Structure parameters

Formula	C105 H75 Cu F24 N4
Calculated formula	C105 H75 Cu F24 N4
SMILES	c12c(c(c3C(=c4c(c(c5C(c6ccccc6)=c6c(c(c7C(=c8c(c(c2[n]8[Cu]([n]45)(n13)[n]67)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccccc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccccc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F.CCCCCC.CCCCCC
Title of publication	Undecaphenylcorroles
Authors of publication	Steffen Berg; Kolle E. Thomas; Christine M. Beavers; Abhik Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9911 - 9916
a	25.462 ± 0.0013 Å
b	25.8918 ± 0.0012 Å
c	16.2468 ± 0.0009 Å
α	90°
β	128.316 ± 0.003°
γ	90°
Cell volume	8403.7 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.8856 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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