Crystallography Open Database

Information card for entry 2020526

2020525 << 2020526 >> 2020527

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Structure parameters

Chemical name	Poly[[bis(μ~2~-benzene-1,4-dicarboxylato)-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^;κ^2^<i>O</i>^1^:<i>O</i>^4^-bis{μ~2~-2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl-κ<i>N</i>^4^]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}dizinc(II)] triihydrate]
Formula	C18 H16 N5 O5.5 Zn
Calculated formula	C18 H16 N5 O5.5 Zn
Title of publication	A new three-dimensional zinc(II) coordination polymer involving 2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate ligands
Authors of publication	Jian, Shou-Jun; Han, Qian-Qian; Yang, Huai-Xia; Meng, Xiang-Ru
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	7
Pages of publication	530 - 535
a	21.612 ± 0.004 Å
b	10.421 ± 0.002 Å
c	19.246 ± 0.004 Å
α	90°
β	116.85 ± 0.03°
γ	90°
Cell volume	3867.3 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0465
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1026
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	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
185012 (current)	2016-08-05	cif/ Updating files of 2020526 Original log message: Adding full bibliography for 2020526.cif.	2020526.cif 2020526.hkl
183498	2016-06-16	cif/ hkl/ Adding structures of 2020526 via cif-deposit CGI script.	2020526.cif 2020526.hkl