Crystallography Open Database

Information card for entry 4117422

Preview

Coordinates	4117422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96.49 H97.99 Br3.5 Cl12 N13 O2 Pd6
Calculated formula	C96.488 H84 Br3.496 Cl12 N13 O2 Pd6
Title of publication	Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability
Authors of publication	Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	2461 - 2464
a	19.26 ± 0.05 Å
b	51.47 ± 0.1 Å
c	14.07 ± 0.03 Å
α	90°
β	91.03 ± 0.05°
γ	90°
Cell volume	13946 ± 5 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.3078
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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