Crystallography Open Database

Information card for entry 4303310

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Structure parameters

Formula	C12 H15 Cl3
Calculated formula	C12 H15 Cl3
SMILES	ClCc1c(c(c(c(c1C)CCl)C)CCl)C
Title of publication	A New Tripodal Ligand System with Steric and Electronic Modularity for Uranium Coordination Chemistry
Authors of publication	Suzanne C. Bart; Frank W. Heinemann; Christian Anthon; Christina Hauser; Karsten Meyer
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	9419 - 9426
a	9.2206 ± 0.0004 Å
b	9.3069 ± 0.0008 Å
c	9.3088 ± 0.0005 Å
α	117.915 ± 0.006°
β	108.127 ± 0.003°
γ	102.038 ± 0.006°
Cell volume	608.26 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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