Crystallography Open Database

Information card for entry 4117423

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Coordinates	4117423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103.66 H107.75 Cl12 N14.87 O2 Pd6
Calculated formula	C103.64 H84 Cl12 N14.87 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	19.5756 ± 0.0007 Å
b	51.9794 ± 0.0019 Å
c	14.3211 ± 0.0005 Å
α	90°
β	91.7141 ± 0.001°
γ	90°
Cell volume	14565.6 ± 0.9 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
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	0.0869
Weighted residual factors for all reflections included in the refinement	0.2792
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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