Crystallography Open Database

Information card for entry 2243255

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Structure parameters

Chemical name	Tetrakis(μ-2-bromonicotinato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)
Formula	C24 H16 Br4 Cu2 N4 O10
Calculated formula	C24 H16 Br4 Cu2 N4 O10
SMILES	c1(c(cccn1)C1=[O][Cu]234([Cu](O1)(OC(=[O]2)c1c(nccc1)Br)([O]=C(O3)c1c(Br)nccc1)([O]=C(c1c(Br)nccc1)O4)[OH2])[OH2])Br
Title of publication	The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex
Authors of publication	Politeo, Nives; Pisačić, Mateja; Daković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	2
Pages of publication	225 - 230
a	7.5596 ± 0.0002 Å
b	9.7402 ± 0.0003 Å
c	20.5332 ± 0.0007 Å
α	90°
β	94.345 ± 0.003°
γ	90°
Cell volume	1507.56 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
247002 (current)	2020-01-18	cif/ hkl/ Adding structures of 2243255 via cif-deposit CGI script.	2243255.cif 2243255.hkl