Crystallography Open Database

Information card for entry 2311923

2311922 << 2311923 >> 2311924

Preview

Coordinates	2311923.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly[aqua(μ-benzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^2'^)[μ-2-(1<i>H</i>-imidazol-1-ylmethyl)-6-methyl-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^:<i>N</i>^3^]cadmium(II)]
Formula	C20 H18 Cd N4 O5
Calculated formula	C20 H18 Cd N4 O5
Title of publication	A new two-dimensional Cd<sup>II</sup> coordination polymer based on 2-(1H-imidazol-1-ylmethyl)-6-methyl-1H-benzimidazole and benzene-1,2-dicarboxylate: synthesis, crystal structure and characterization.
Authors of publication	Yang, Huai Xia; Yang, Yan Qiu; Cheng, Di; Li, Ya Xue; Meng, Xiang Ru
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	828 - 832
a	8.6692 ± 0.0017 Å
b	21.933 ± 0.004 Å
c	11.12 ± 0.002 Å
α	90°
β	110.77 ± 0.03°
γ	90°
Cell volume	1977 ± 0.7 Å³
Cell temperature	293 ± 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	0.0299
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246168 (current)	2019-12-26	cif/ Adding structures of 2311923 via cif-deposit CGI script.	2311923.cif