Crystallography Open Database

Information card for entry 2006876

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Preview

Coordinates	2006876.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(2,4,6,9,11-pentamethyl-5,8-diazadodeca-4,8-diene-2,11- diamine)nickel(II) tetrachlorozincate
Formula	C15 H32 Cl4 N4 Ni Zn
Calculated formula	C15 H32 Cl4 N4 Ni Zn
SMILES	[Ni]123[NH2]C(C)(C)CC(C)=[N]1C(C)C[N]2=C(C)CC(C)(C)[NH2]3.[Zn](Cl)(Cl)([Cl-])[Cl-]
Title of publication	A Nickel(II) Compound with a Tetradentate Diamine‒Diimine Ligand, (2,4,6,9,11-Pentamethyl-5,8-diazadodeca-4,8-diene-2,11-diamine)nickel(II) Tetrachlorozincate
Authors of publication	Gladkikh, Olga P.; Curtis, Neil F.; Heath, Sarah L.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	12
Pages of publication	1770 - 1772
a	9.3718 ± 0.0014 Å
b	17.085 ± 0.003 Å
c	14.351 ± 0.002 Å
α	90°
β	95.121 ± 0.004°
γ	90°
Cell volume	2288.7 ± 0.6 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
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	0.0821
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for all reflections	0.1088
Weighted residual factors for significantly intense reflections	0.0918
Goodness-of-fit parameter for all reflections	1.082
Goodness-of-fit parameter for significantly intense reflections	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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