Crystallography Open Database

Information card for entry 7150206

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Coordinates	7150206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H64 F12 Fe N6 O5 P2
Calculated formula	C66 H62 F12 Fe N6 O5 P2
Title of publication	Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.
Authors of publication	Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2005
Journal volume	3
Journal issue	17
Pages of publication	3105 - 3116
a	23.3906 ± 0.0005 Å
b	11.4829 ± 0.0002 Å
c	23.2945 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6256.7 ± 0.2 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1491
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1913
Weighted residual factors for all reflections included in the refinement	0.2337
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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