Crystallography Open Database

Information card for entry 4120121

4120120 << 4120121 >> 4120122

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Coordinates	4120121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H36 Co2 In3 N3 O22
Calculated formula	C60 H36 Co2 In3 N3 O21.98
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	18.8658 ± 0.0004 Å
b	18.8658 ± 0.0004 Å
c	24.6975 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	7612.6 ± 0.5 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	0.0713
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1697
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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