Crystallography Open Database

Information card for entry 2020709

2020708 << 2020709 >> 2020710

Preview

Coordinates	2020709.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[μ-1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-methylisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)]
Formula	C22 H26 N4 O4 Zn
Calculated formula	C22 H26 N4 O4 Zn
Title of publication	Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands
Authors of publication	Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	2
Pages of publication	78 - 83
a	9.491 ± 0.0012 Å
b	18.7233 ± 0.0013 Å
c	11.9855 ± 0.0017 Å
α	90°
β	101.315 ± 0.003°
γ	90°
Cell volume	2088.5 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
193976 (current)	2017-03-05	cif/ Updating files of 2020709, 2020710 Original log message: Adding full bibliography for 2020709--2020710.cif.	2020709.cif
190568	2017-01-17	cif/ hkl/ Adding structures of 2020709, 2020710 via cif-deposit CGI script.	2020709.cif