Crystallography Open Database

Information card for entry 4117416

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Coordinates	4117416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91.88 H99.82 Cl12 N15.94 O2 Pd6
Calculated formula	C91.88 H84 Cl12 N15.94 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	19.591 ± 0.0008 Å
b	51.73 ± 0.003 Å
c	14.2715 ± 0.0005 Å
α	90°
β	90.9052 ± 0.001°
γ	90°
Cell volume	14461.5 ± 1.1 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	0.0991
Weighted residual factors for all reflections included in the refinement	0.3164
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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