Crystallography Open Database

Information card for entry 7709304

Preview

Coordinates	7709304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.7 H45.63 Cu8 K4 Mn13 Na6 O104.6
Calculated formula	C49.7 H45.63 Cu8 K4 Mn13 Na6 O104.6
Title of publication	Heterometallic Chiral [Mn13Cu8] Single-Molecule Magnets
Authors of publication	Peng, Zhiwei; Li, Shu; Li, Ao; Liao, Jiaming; Wang, Yiman; Li, Xudong; Meng, Wei; Zhang, Jian
Journal of publication	Dalton Transactions
Year of publication	2022
a	13.0061 ± 0.0005 Å
b	15.9364 ± 0.0006 Å
c	16.6526 ± 0.0006 Å
α	114.136 ± 0.001°
β	99.411 ± 0.001°
γ	102.301 ± 0.001°
Cell volume	2953.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.04 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1412
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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