Crystallography Open Database

Information card for entry 4107322

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Coordinates	4107322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H208 Co13 N18 O62
Calculated formula	C74 H108 Co13 N18 O62.04
Title of publication	Trading Templates: Supramolecular Transformations between {CoII13} and {CoII12} Nanoclusters
Authors of publication	Graham N. Newton; Geoffrey J. T. Cooper; Paul Kögerler; De-Liang Long; Leroy Cronin
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	790 - 791
a	21.4287 ± 0.0007 Å
b	21.4287 ± 0.0007 Å
c	23.3492 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	9285.3 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.2144
Weighted residual factors for all reflections included in the refinement	0.2478
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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