Crystallography Open Database

Information card for entry 4336903

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Coordinates	4336903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H230 Ni6 O56 P6 Y6
Calculated formula	C120 H230 Ni6 O56 P6 Y6
Title of publication	Wells-Dawson Cages as Molecular Refrigerants
Authors of publication	Eufemio Moreno Pineda; Floriana Tuna; Yan-Zhen Zheng; Richard E. P. Winpenny; Eric J. L. McInnes
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13702 - 13707
a	16.6447 ± 0.0004 Å
b	20.5345 ± 0.0004 Å
c	25.1562 ± 0.0006 Å
α	84.006 ± 0.0018°
β	88.9737 ± 0.0018°
γ	89.5098 ± 0.0016°
Cell volume	8549.6 ± 0.3 Å³
Cell temperature	128.4 ± 0.1 K
Ambient diffraction temperature	128.4 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.117
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.2015
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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