Crystallography Open Database

Information card for entry 4512206

Preview

Coordinates	4512206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Cl N6 Nd O10
Calculated formula	C40 H40 Cl N6 Nd O10
Title of publication	Spontaneous Resolution of Racemic Salen-Type Ligand in the Construction of 3D Homochiral Lanthanide Frameworks
Authors of publication	Sun, Jing-Wen; Zhu, Jing; Song, Hui-Feng; Li, Guang-Ming; Yao, Xu; Yan, Peng-Fei
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	5356
a	18.1041 ± 0.0002 Å
b	18.1041 ± 0.0002 Å
c	16.4374 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5387.5 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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