Crystallography Open Database

Information card for entry 7703923

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Coordinates	7703923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H100.8 Dy I3 O10.3 P4
Calculated formula	C84 H84.296 Dy I3 O7.296 P4
Title of publication	Six-coordinate mononuclear dysprosium(iii) single-molecule magnets with the triphenylphosphine oxide ligand.
Authors of publication	Vignesh, Kuduva R.; Alexandropoulos, Dimitris I.; Xie, Haomiao; Dunbar, Kim R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	15
Pages of publication	4694 - 4698
a	18.5253 ± 0.0008 Å
b	23.7303 ± 0.001 Å
c	20.0073 ± 0.0008 Å
α	90°
β	106.966 ± 0.001°
γ	90°
Cell volume	8412.6 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110.02 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	0.0324
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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