Crystallography Open Database

Information card for entry 2007028

2007027 << 2007028 >> 2007029

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Coordinates	2007028.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Complexe de Cuivre(II) di(Nitriloacétatodiacétique) Dihydrate
Formula	C12 H20 Cu N2 O14
Calculated formula	C12 H20 Cu N2 O14
SMILES	C1C(=O)O[Cu]234([O]=C(C[N]12CC(=O)O)O)[N](CC(=O)O3)(CC(=[O]4)O)CC(=O)O.O.O
Title of publication	Complexe de Cuivre(II) Di(nitriloacétatodiacétique) Dihydrate, [Cu(C~6~H~8~NO~6~)~2~].2H~2~O
Authors of publication	Ben Amor, Fatma; Bourguiba, Néji; Driss, Ahmed; Jouini, Tahar
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	2
Pages of publication	197 - 199
a	6.879 ± 0.002 Å
b	14.004 ± 0.003 Å
c	9.504 ± 0.001 Å
α	90°
β	91.37 ± 0.02°
γ	90°
Cell volume	915.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0691
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for all reflections	0.0898
Weighted residual factors for significantly intense reflections	0.0801
Goodness-of-fit parameter for all reflections	1.093
Goodness-of-fit parameter for significantly intense reflections	1.163
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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