Crystallography Open Database

Information card for entry 4117425

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Coordinates	4117425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C195.13 H207.17 Cl26.51 N27.53 O5.51 Pd12
Calculated formula	C194.132 H168 Cl26.509 N27.53 O4.509 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	14.3444 ± 0.0006 Å
b	52.812 ± 0.003 Å
c	19.7014 ± 0.0009 Å
α	90°
β	90.7824 ± 0.001°
γ	90°
Cell volume	14923.5 ± 1.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.2359
Goodness-of-fit parameter for all reflections included in the refinement	0.931
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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