Crystallography Open Database

Information card for entry 7712710

Preview

Coordinates	7712710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H86 Mn4 Mo2 N26 O5
Calculated formula	C78 H86 Mn4 Mo2 N26 O5
Title of publication	Three New MnII-[MoIII(CN)7]4– Molecular Magnets Constructed from Chiral Bidentate Chelating Ligands
Authors of publication	Xu, Fang-Xue; Li, Ying-Lian; Wei, Xiao-Qin; Shao, Dong; Shi, Le; Wei, Haiyan; Wang, Xin-Yi
Journal of publication	Dalton Transactions
Year of publication	2023
a	13.27 ± 0.0007 Å
b	16.3706 ± 0.0008 Å
c	21.4855 ± 0.0011 Å
α	90°
β	106.344 ± 0.002°
γ	90°
Cell volume	4478.8 ± 0.4 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1766
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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