Crystallography Open Database

Information card for entry 2238712

Preview

Coordinates	2238712.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')trizinc(II)]
Formula	C21 H27 N3 O15 Zn3
Calculated formula	C21 H27 N3 O15 Zn3
Title of publication	Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')trizinc(II)]
Authors of publication	Sim, Jaeung; Kim, Taemin; Yang, Jin Kuk
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m619
a	13.8594 ± 0.0017 Å
b	13.8594 ± 0.0017 Å
c	8.01 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	1332.5 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections	0.809
Goodness-of-fit parameter for all reflections included in the refinement	0.809
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238712.cif
91106	2013-12-09	cif/ Adding structures of 2238712 via cif-deposit CGI script.	2238712.cif