Crystallography Open Database

Information card for entry 4083586

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Coordinates	4083586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H104 Lu3 N15
Calculated formula	C92 H104 Lu3 N15
Title of publication	Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes
Authors of publication	Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	12
Pages of publication	3005
a	17.4063 ± 0.0015 Å
b	19.8347 ± 0.0017 Å
c	25.018 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8637.4 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0445
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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