Crystallography Open Database

Information card for entry 4344738

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Coordinates	4344738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 Dy2 N6 Ni O20
Calculated formula	C38 H26 Dy2 N6 Ni O20
Title of publication	A 3D Heterometallic Coordination Polymer Constructed by Trimeric {NiDy2} Single-Molecule Magnet Units.
Authors of publication	Zhang, Shaowei; Li, Han; Duan, Eryue; Han, Zongsu; Li, Leilei; Tang, Jinkui; Shi, Wei; Cheng, Peng
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	3
Pages of publication	1202 - 1207
a	13.3451 ± 0.0004 Å
b	23.7349 ± 0.0007 Å
c	13.1709 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4171.8 ± 0.2 Å³
Cell temperature	129.9 ± 0.3 K
Ambient diffraction temperature	129.9 ± 0.3 K
Number of distinct elements	6
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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