Crystallography Open Database

Information card for entry 4111300

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Coordinates	4111300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H51 Mn3 N6 O10
Calculated formula	C40 H51 Mn3 N6 O10
Title of publication	Coexistence of Magnetization Relaxation and Dielectric Relaxation in a Single-Chain Magnet
Authors of publication	Yue-Ling Bai; Jun Tao; Wolfgang Wernsdorfer; Osamu Sato; Rong-Bin Huang; Lan-Sun Zheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16428 - 16429
a	21.708 ± 0.004 Å
b	25.104 ± 0.005 Å
c	7.7259 ± 0.0015 Å
α	90°
β	98.32 ± 0.03°
γ	90°
Cell volume	4166 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	0.904
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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