Crystallography Open Database

Information card for entry 4315611

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Structure parameters

Formula	C48 H68 F12 Hf2 N10
Calculated formula	C48 H68 F12 Hf2 N10
Title of publication	NCN Trianionic Pincer Ligand Precursors: Synthesis of Bimetallic, Chelating Diamide, and Pincer Group IV Complexes
Authors of publication	Soumya Sarkar; Kevin P. McGowan; Jeffrey A. Culver; Adam R. Carlson; Jürgen Koller; Andrew J. Peloquin; Melanie K. Veige; Khalil A. Abboud; Adam S. Veige
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5143 - 5156
a	17.3997 ± 0.0011 Å
b	20.3795 ± 0.0012 Å
c	15.9524 ± 0.001 Å
α	90°
β	93.829 ± 0.001°
γ	90°
Cell volume	5644 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.1412
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	0.821
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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