Crystallography Open Database

Information card for entry 4120120

4120119 << 4120120 >> 4120121

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Coordinates	4120120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H38 In3 N3 O20 Zn
Calculated formula	C60 H36 In3 N3 O20 Zn
Title of publication	Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites
Authors of publication	Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10270 - 10273
a	18.7843 ± 0.0008 Å
b	18.7843 ± 0.0008 Å
c	25.0267 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	7647.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	0.876
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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