Crystallography Open Database

Information card for entry 7717439

Preview

Coordinates	7717439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H138.5 Cl6 F8 Gd8 N32 O51.25
Calculated formula	C103 H75 F8 Gd8 N32 O36
Title of publication	Solvent-dependent Ln(III) clusters assembled by immobilization of CO2 in the air: zero-field single-molecule magnets and magnetic refrigerant materials
Authors of publication	Liu, Cai-Ming; Hao, Xiang; Hu, Zhao-Bo; Wen, He-Rui
Journal of publication	Dalton Transactions
Year of publication	2024
a	18.6686 ± 0.0002 Å
b	20.0759 ± 0.0002 Å
c	21.9073 ± 0.0003 Å
α	82.424 ± 0.001°
β	79.98 ± 0.001°
γ	86.098 ± 0.001°
Cell volume	8006.24 ± 0.16 Å³
Cell temperature	170 ± 0.3 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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