Crystallography Open Database

Information card for entry 2020710

2020709 << 2020710 >> 2020711

Preview

Coordinates	2020710.cif
Original paper (by DOI)	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~3~-5-methylisophthalato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^)(μ~3~-5-methylisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)dizinc(II)]
Formula	C31 H32 N4 O8 Zn2
Calculated formula	C31 H32 N4 O8 Zn2
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	11.1005 ± 0.0017 Å
b	17.486 ± 0.003 Å
c	16.372 ± 0.002 Å
α	90°
β	95.625 ± 0.002°
γ	90°
Cell volume	3162.6 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.063
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	2020710.cif
190568	2017-01-17	cif/ hkl/ Adding structures of 2020709, 2020710 via cif-deposit CGI script.	2020710.cif