Crystallography Open Database

Information card for entry 2214500

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Structure parameters

Chemical name	Diaquabis(4-chlorobenzoato-κ<i>O</i>)bis-(<i>N</i>,<i>N</i>'- diethylnicotinamide-κ<i>N</i>)zinc(II)
Formula	C34 H40 Cl2 N4 O8 Zn
Calculated formula	C34 H40 Cl2 N4 O8 Zn
SMILES	[Zn]([OH2])([n]1cccc(c1)C(=O)N(CC)CC)([n]1cccc(c1)C(=O)N(CC)CC)(OC(=O)c1ccc(cc1)Cl)(OC(=O)c1ccc(cc1)Cl)[OH2]
Title of publication	Diaquabis(4-chlorobenzoato-κ<i>O</i>)bis-(<i>N</i>,<i>N</i>'-diethylnicotinamide-κ<i>N</i>)zinc(II)
Authors of publication	Sarı, Musa; Gökçe, Gültekin; Gökçe, Songül; Şahin, Ertan; Necefoǧlu, Hacali
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	8
Pages of publication	m2191 - m2191
a	7.357 ± 0.0002 Å
b	8.6887 ± 0.001 Å
c	15.9114 ± 0.001 Å
α	85.047 ± 0.005°
β	78.476 ± 0.005°
γ	67.321 ± 0.004°
Cell volume	919.49 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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