Crystallography Open Database

Information card for entry 2011990

2011989 << 2011990 >> 2011991

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Structure parameters

Chemical name	tetrakis(benzoato-O,O')bis(2,6-diaminopyridine-N)dicopper(II)acetonitrile solvat
Formula	C42 H40 Cu2 N8 O8
Calculated formula	C42 H40 Cu2 N8 O8
SMILES	c1(cccc([n]1[Cu]1234[O]=C(c5ccccc5)O[Cu]1([n]1c(cccc1N)N)([O]=C(c1ccccc1)O3)(OC(c1ccccc1)=[O]2)[O]=C(c1ccccc1)O4)N)N.N#CC.N#CC
Title of publication	Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile
Authors of publication	Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	5
Pages of publication	546 - 548
a	10.69 ± 0.001 Å
b	12.822 ± 0.003 Å
c	16.485 ± 0.002 Å
α	85.24 ± 0.01°
β	71.24 ± 0.01°
γ	85.87 ± 0.01°
Cell volume	2129.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1466
Residual factor for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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