Crystallography Open Database

Information card for entry 4307617

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Structure parameters

Formula	C14 H24 N6 O
Calculated formula	C14 H24 N6 O
SMILES	O.n1(nc(cc1C)C)C(n1nc(cc1C)C)C(=N)N(C)C
Title of publication	Lithium, Titanium, and Zirconium Complexes with Novel Amidinate Scorpionate Ligands
Authors of publication	Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis F. Sánchez-Barba; Isabel López-Solera; Ana M. Rodríguez
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1760 - 1770
a	8.97 ± 0.0012 Å
b	9.6283 ± 0.0012 Å
c	10.6464 ± 0.0014 Å
α	91.898 ± 0.003°
β	99.04 ± 0.003°
γ	117.182 ± 0.002°
Cell volume	802 ± 0.18 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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