Crystallography Open Database

Information card for entry 1542254

Preview

Coordinates	1542254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88.77 H103.38 Cl21.54 N12 O4.92 Pd6
Calculated formula	C88.77 H93.54 Cl21.54 N12 O4.93 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	31.495 ± 0.0007 Å
b	31.495 ± 0.0007 Å
c	31.495 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	31241 ± 1.2 Å³
Cell temperature	97 K
Ambient diffraction temperature	97 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	0.0917
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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