Crystallography Open Database

Information card for entry 4116476

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Coordinates	4116476.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C~70~^.^Cu(OEP)^.^CHCl~3~^.^benzene
Formula	C113 H50 Cl3 Cu N4
Calculated formula	C113 H50 Cl3 Cu N4
Title of publication	Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units
Authors of publication	Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	7090 - 7097
a	14.402 ± 0.006 Å
b	14.654 ± 0.007 Å
c	18.836 ± 0.011 Å
α	90.088 ± 0.01°
β	87.45 ± 0.014°
γ	61.38 ± 0.007°
Cell volume	3485 ± 3 Å³
Cell temperature	156 ± 2 K
Ambient diffraction temperature	156 ± 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	0.2197
Residual factor for significantly intense reflections	0.1262
Weighted residual factors for significantly intense reflections	0.3233
Weighted residual factors for all reflections included in the refinement	0.3829
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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