Crystallography Open Database

Information card for entry 4100887

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Coordinates	4100887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6
Calculated formula	C117 H144 F5.96 O12 Ru6 Sb
Title of publication	Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.
Authors of publication	Fairchild, Robert M.; Holman, K. Travis
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Journal issue	47
Pages of publication	16364 - 16365
a	19.3059 ± 0.0019 Å
b	19.3059 ± 0.0019 Å
c	47.475 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	15324 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1542
Goodness-of-fit parameter for all reflections included in the refinement	0.951
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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