Crystallography Open Database

Information card for entry 7013198

Preview

Coordinates	7013198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H18 Cl2 N4 Zn
Calculated formula	C11 H18 Cl2 N4 Zn
SMILES	[Zn]1([N]2(Cc3[n]1c(ccc3)N)CCN(C)CC2)(Cl)Cl
Title of publication	Internal hydrogen bonding in tetrahedral and trigonal bipyramidal zinc(II) complexes of pyridine-based ligands
Authors of publication	Juan C. Mareque Rivas; Emiliano Salvagni; Rafael Torres Martín de Rosales; Simon Parsons
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	17
Pages of publication	3339 - 3349
a	9.0138 ± 0.0007 Å
b	11.1924 ± 0.0009 Å
c	14.6243 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1475.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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