Crystallography Open Database

Information card for entry 7210234

Preview

Coordinates	7210234.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	catena-(Diaqua-(mu-5-nitroisophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendia
Formula	C20 H36 Cl Cu2 N5 O11
Calculated formula	C20 H36 Cl Cu2 N5 O11
Title of publication	Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization
Authors of publication	Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	30
Pages of publication	5961
a	13.4288 ± 0.0007 Å
b	15.5866 ± 0.0008 Å
c	14.6967 ± 0.0008 Å
α	90°
β	111.897 ± 0.001°
γ	90°
Cell volume	2854.2 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
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	0.0627
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	0.854
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
180433 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/02.	7210234.cif
87575	2013-08-27	cif/ Adding structures of 7210232, 7210233, 7210234, 7210235, 7210236, 7210237 via cif-deposit CGI script.	7210234.cif