Crystallography Open Database

Information card for entry 4503517

Preview

Coordinates	4503517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 N2 O6 Zn
Calculated formula	C21 H22 N2 O6 Zn
Title of publication	Topological Diversity of Coordination Polymers Containing the Rigid Terephthalate and a Flexible N,N′-Type Ligand: Interpenetration, Polyrotaxane, and Polythreading
Authors of publication	Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	6
Pages of publication	1932
a	9.4758 ± 0.0006 Å
b	17.8003 ± 0.0012 Å
c	25.6003 ± 0.0017 Å
α	90°
β	97.299 ± 0.001°
γ	90°
Cell volume	4283.1 ± 0.5 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	5
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	0.0488
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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