Crystallography Open Database

Information card for entry 4117426

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Coordinates	4117426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C184.79 H197.62 Cl25.19 N27.64 O5.19 Pd12
Calculated formula	C184.804 H168 Cl25.188 N27.65 O5.188 Pd12
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	14.3191 ± 0.0003 Å
b	52.7125 ± 0.001 Å
c	19.6819 ± 0.0004 Å
α	90°
β	90.908 ± 0.001°
γ	90°
Cell volume	14853.9 ± 0.5 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.223
Weighted residual factors for all reflections included in the refinement	0.2444
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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