Crystallography Open Database

Information card for entry 2019955

2019954 << 2019955 >> 2019956

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Structure parameters

Chemical name	Poly[bis{μ~2~-1-[(1<i>H</i>-benzimidazolyl)methyl]-1<i>H</i>-tetrazole-κ^2^<i>N</i>^3^:<i>N</i>^4^}(μ~4~-butanedioato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)(μ~2~-butanedioato-κ^2^<i>O</i>^1^:<i>O</i>^4^)dicadmium]
Formula	C13 H12 Cd N6 O4
Calculated formula	C13 H12 Cd N6 O4
Title of publication	A two-dimensional layered Cd^II^ coordination polymer with a three-dimensional supramolecular architecture incorporating mixed multidentate <i>N</i>- and <i>O</i>-donor ligands
Authors of publication	Huang, Qiu-Ying; Su, Ming-Yang; Meng, Xiang-Ru
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	6
a	7.9867 ± 0.0016 Å
b	8.3516 ± 0.0017 Å
c	11.604 ± 0.002 Å
α	90.5 ± 0.03°
β	103.76 ± 0.03°
γ	101.4 ± 0.03°
Cell volume	735.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0543
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181869 (current)	2016-04-06	hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99.	2019955.cif 2019955.hkl
136664	2015-05-17	cif/ hkl/ Adding structures of 2019955 via cif-deposit CGI script.	2019955.cif 2019955.hkl