Crystallography Open Database

Information card for entry 4113828

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Coordinates	4113828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H105 Cu2 F12 N10 O30.5 Pt4 S12
Calculated formula	C72 H96 Cu2 F12 N10 O30.5 Pt4 S12
Title of publication	A Metal-Centered Hydrophobic Pocket Recognizing Pyridine over Piperidine
Authors of publication	Ki-Hyun Kim; Rita Song; Kwan Mook Kim
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	7170 - 7171
a	34.419 ± 0.009 Å
b	15.989 ± 0.003 Å
c	26.712 ± 0.004 Å
α	90 ± 0.012°
β	108.475 ± 0.018°
γ	90 ± 0.017°
Cell volume	13943 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2214
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.1724
Weighted residual factors for all reflections included in the refinement	0.2192
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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