Crystallography Open Database

Information card for entry 7052994

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Coordinates	7052994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138.5 H131 Cl N14 O23 Zn2
Calculated formula	C138.5 H127 Cl N14 O23 Zn2
Title of publication	Zinc‒ and palladium‒porphyrin based turnstiles
Authors of publication	Lang, Thomas; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	1
Pages of publication	112
a	13.5277 ± 0.0004 Å
b	15.3111 ± 0.0007 Å
c	17.7296 ± 0.0005 Å
α	86.083 ± 0.003°
β	67.796 ± 0.002°
γ	77.863 ± 0.003°
Cell volume	3323.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.2357
Weighted residual factors for all reflections included in the refinement	0.2528
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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