Crystallography Open Database

Information card for entry 7063905

Preview

Coordinates	7063905.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	complex1
Formula	C46 H58 Mn2 N8 Na2 O13 S4
Calculated formula	C46 H58 Mn2 N8 Na2 O13 S4
Title of publication	A heterometallic {MnIIINaI}2 coordination compound exhibiting field-induced slow magnetic relaxation
Authors of publication	Ma, De-Yang; Li, Shan-Shan; Zhao, Xin-Hua; Wang, Yan-Lan; Zhang, Shao-Liang
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	32
Pages of publication	13705 - 13708
a	31.7076 ± 0.0013 Å
b	16.367 ± 0.0006 Å
c	11.4836 ± 0.0005 Å
α	90°
β	106.795 ± 0.004°
γ	90°
Cell volume	5705.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	0.845
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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