Crystallography Open Database

Information card for entry 7703453

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Coordinates	7703453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H112 B4 Dy Na O14
Calculated formula	C80 H112 B4 Dy Na O14
Title of publication	Equatorial coordination optimization for enhanced axiality of mononuclear Dy(iii) single-molecule magnets.
Authors of publication	Yu, Ke-Xin; Ding, You-Song; Zhai, Yuan-Qi; Han, Tian; Zheng, Yan-Zhen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	10
Pages of publication	3222 - 3227
a	11.208 ± 0.004 Å
b	18.045 ± 0.006 Å
c	20.555 ± 0.007 Å
α	90°
β	101.305 ± 0.004°
γ	90°
Cell volume	4077 ± 2 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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