Crystallography Open Database

Information card for entry 2020404

2020403 << 2020404 >> 2020405

Preview

Coordinates	2020404.cif
Structure factors	2020404.hkl
Original IUCr paper	HTML

Structure parameters

Common name	Cu complex
Chemical name	<i>catena</i>-Poly[[[μ~2~-<i>N</i>,<i>N</i>'-bis(2-oxidobenzylidene)-2,2-dimethylpropane-1,3-diamine-1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>']dicopper]-di-μ-dicyanamido-1:2'κ^2^<i>N</i>^1^:<i>N</i>^5^;2:1'κ^2^<i>N</i>^1^:<i>N</i>^5^]
Formula	C23 H20 Cu2 N8 O2
Calculated formula	C23 H20 Cu2 N8 O2
SMILES	[Cu]123([N]#CN=C=N[Cu]456[N]#CN=C=N[Cu]7([N]#CN=C=N4)(N=C=NC#N)[O]4[Cu]89[N](=Cc%10c(cccc%10)[O]87)CC(C)(C)C[N]9=Cc7c4cccc7)[N]4=Cc7c(cccc7)[O]2[Cu]2([N]#CN=C=N[Cu]7([N]#CN=C=N2)(N=C=NC#N)[O]2[Cu]89[N](=Cc%10c(cccc%10)[O]87)CC(C)(C)C[N]9=Cc7c2cccc7)(N=C=NC#[N][Cu]278[N](=Cc9c(cccc9)[O]75)CC(C)(C)C[N]2=Cc2c(cccc2)[O]86)[O]3c3c(C=[N]1CC(C4)(C)C)cccc3
Title of publication	Synthesis, structural characterization and thermal properties of a new copper(II) one-dimensional coordination polymer based on bridging <i>N</i>,<i>N</i>'-bis(2-hydroxybenzylidene)-2,2-dimethylpropane-1,3-diamine and dicyanamide ligands
Authors of publication	Hopa, Cigdem; Cokay, Ismail
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	2
Pages of publication	149 - 154
a	10.114 ± 0.0003 Å
b	10.1578 ± 0.0004 Å
c	11.9844 ± 0.0004 Å
α	72.725 ± 0.002°
β	87.397 ± 0.002°
γ	78.487 ± 0.002°
Cell volume	1151.91 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181874 (current)	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04	2020404.cif 2020404.hkl
177469	2016-03-04	cif/ Updating files of 2020404 Original log message: Adding full bibliography for 2020404.cif.	2020404.cif 2020404.hkl
174893	2016-01-24	cif/ hkl/ Adding structures of 2020404 via cif-deposit CGI script.	2020404.cif 2020404.hkl