Crystallography Open Database

Information card for entry 1542260

Preview

Coordinates	1542260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88.34 H103.54 Cl20.68 N12 O5.43 Pd6
Calculated formula	C88.338 H92.676 Cl20.676 N12 O5.4299 Pd6
Title of publication	Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Authors of publication	Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	3
Pages of publication	2217
a	31.3469 ± 0.0008 Å
b	31.3469 ± 0.0008 Å
c	31.3469 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	30802.3 ± 1.4 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	199
Hermann-Mauguin space group symbol	I 21 3
Hall space group symbol	I 2b 2c 3
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.212
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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