Crystallography Open Database

Information card for entry 7032887

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Coordinates	7032887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71.38 H78.38 B2 N2 O2 Th
Calculated formula	C71.3819 H78.3819 B2 N2 O2 Th
Title of publication	Arene-ligated heteroleptic terphenolate complexes of thorium.
Authors of publication	McKinven, Jamie; Nichol, Gary S.; Arnold, Polly L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	46
Pages of publication	17416 - 17421
a	12.964 ± 0.0002 Å
b	14.7824 ± 0.0002 Å
c	17.7705 ± 0.0003 Å
α	75.461 ± 0.001°
β	77.937 ± 0.001°
γ	75.781 ± 0.001°
Cell volume	3155.84 ± 0.09 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0266
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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