Crystallography Open Database

Information card for entry 4117275

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Coordinates	4117275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H176 Co8 N6 Nd2 O42 P4
Calculated formula	C110 H176 Co8 N6 Nd2 O42 P4
Title of publication	Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants
Authors of publication	Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	1057 - 1065
a	16.5791 ± 0.0012 Å
b	31.645 ± 0.002 Å
c	26.1091 ± 0.0019 Å
α	90°
β	98.798 ± 0.001°
γ	90°
Cell volume	13536.9 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1563
Weighted residual factors for all reflections included in the refinement	0.1665
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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