Crystallography Open Database

Information card for entry 1542258

Preview

Coordinates	1542258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.41 H49.41 Cl22.23 N6 O Pd3
Calculated formula	C47.41 H46.41 Cl22.23 N6 O Pd3
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	31.3274 ± 0.0006 Å
b	31.3274 ± 0.0006 Å
c	31.3274 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	30744.9 ± 1 Å³
Cell temperature	97 K
Ambient diffraction temperature	97 K
Number of distinct elements	6
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.1823
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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