Crystallography Open Database

Information card for entry 4104031

Preview

Coordinates	4104031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H240 Br6 Co9 N84 O74
Calculated formula	C192 H240 Br6 Co9 N84 O74.04
Title of publication	Template Trapping and Crystal Structure of the Magic Number (H2O)21 Cluster in the Tetrahedral Hole of a Nanoscale Global Ion Packed in a Face-Centered cubic Pattern
Authors of publication	Man-Li Cao; Jin-Ji Wu; Hao-Jun Mo; Bao-Hui Ye
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3458 - 3459
a	30.1073 ± 0.0002 Å
b	30.1073 ± 0.0002 Å
c	30.1073 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	27290.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	202
Hermann-Mauguin space group symbol	F m -3
Hall space group symbol	-F 2 2 3
Residual factor for all reflections	0.1192
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.2023
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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