Crystallography Open Database

Information card for entry 7243873

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Coordinates	7243873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H51 Mn3 N6 Na2 O21
Calculated formula	C45 H51 Mn3 N6 Na2 O21
Title of publication	Single-molecule magnet achieved through topological tuning with sodium ions
Authors of publication	Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	48
Pages of publication	8490 - 8497
a	13.502 ± 0.0007 Å
b	14.1079 ± 0.0008 Å
c	15.3728 ± 0.0007 Å
α	84.81 ± 0.004°
β	68.896 ± 0.004°
γ	77.273 ± 0.005°
Cell volume	2664.6 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1675
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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