Crystallography Open Database

Information card for entry 2020563

2020562 << 2020563 >> 2020564

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Structure parameters

Chemical name	Poly[aquabis[μ~3~-5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^5^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^]copper(II)dicopper(I)]
Formula	C20 H12 Cu3 N6 O9
Calculated formula	C20 H12 Cu3 N6 O9
Title of publication	A two-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from 2-(pyridin-3-yl)-1<i>H</i>-imidazole-4,5-dicarboxylate
Authors of publication	Zhang, Li-Yang; Lu, Li-Ping; Feng, Si-Si
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	8
a	23.095 ± 0.005 Å
b	6.843 ± 0.0014 Å
c	26.222 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4144.1 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.72 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
184617 (current)	2016-07-23	cif/ hkl/ Adding structures of 2020563 via cif-deposit CGI script.	2020563.cif 2020563.hkl