Crystallography Open Database

Information card for entry 2008969

2008968 << 2008969 >> 2008970

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Coordinates	2008969.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(Pyrazole-N^2^)(2,2-dimethyl-N-salicylideneglycinato-O,N,O')copper(II) pyrazole solvate
Formula	C34 H38 Cu2 N10 O6
Calculated formula	C34 H38 Cu2 N10 O6
SMILES	c12ccccc1C=[N]1C(C(=O)O[Cu]13([n]1[nH]ccc1)[O]2[Cu]12([N](=Cc4c([O]13)cccc4)C(C(=O)O2)(C)C)[n]1[nH]ccc1)(C)C.[nH]1nccc1.[nH]1nccc1
Title of publication	Dimeric (pyrazole-<i>N</i>^2^)(<i>N</i>-salicylidene-2,2-dimethylglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) pyrazole solvate
Authors of publication	Elizabeth Hill; Warda, Salam A.
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	9
Pages of publication	1431 - 1434
a	11.4095 ± 0.0009 Å
b	12.3701 ± 0.0006 Å
c	13.1335 ± 0.001 Å
α	90°
β	92.864 ± 0.009°
γ	90°
Cell volume	1851.3 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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 significantly intense reflections	0.0307
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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