Crystallography Open Database

Information card for entry 7051838

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Coordinates	7051838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H57 Cl3 N6 O8
Calculated formula	C51 H57 Cl3 N6 O8
Title of publication	Oxidation-induced control of self-assembly using a bis-dipyrromethyl substituted phenanthroline building block
Authors of publication	Plitt, Patrick; Lynch, Vincent M.; Sessler, Jonathan L.
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	5
Pages of publication	777
a	17.4821 ± 0.0002 Å
b	17.7345 ± 0.0002 Å
c	17.8705 ± 0.0003 Å
α	97.04 ± 0.001°
β	109.612 ± 0.001°
γ	102.223 ± 0.001°
Cell volume	4986.68 ± 0.13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.1561
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.2165
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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