Crystallography Open Database

Information card for entry 2020403

2020402 << 2020403 >> 2020404

Preview

Coordinates	2020403.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(triethanolamine-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II)]
Formula	C30 H38 Co2 N2 O18
Calculated formula	C30 H38 Co2 N2 O18
SMILES	C1(=O)c2cc(cc(c2)C(=O)O)C(=O)O[Co]234([N](CC[OH]2)(CC[OH]3)CC[OH]4)OC(=O)c2cc(cc(c2)C(=O)O)C(=O)O[Co]234([N](CC[OH]2)(CC[OH]3)CC[OH]4)O1
Title of publication	Bis(triethanolamine)bis(μ~2~-trimesato)dicobalt(II): a Co^II^ dimer with an unreported two-dimensional supramolecular topology formed from triethanolamine and trimesic acid ligands
Authors of publication	Xie, Min; Xu, Guo-Hai
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	2
Pages of publication	143 - 148
a	13.1337 ± 0.0005 Å
b	9.8973 ± 0.0004 Å
c	14.5191 ± 0.0006 Å
α	90°
β	116.449 ± 0.005°
γ	90°
Cell volume	1689.77 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.038
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177476 (current)	2016-03-04	cif/ Updating files of 2020403 Original log message: Adding full bibliography for 2020403.cif.	2020403.cif
174590	2016-01-20	cif/ hkl/ Adding structures of 2020403 via cif-deposit CGI script.	2020403.cif