Crystallography Open Database

Information card for entry 4315604

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Structure parameters

Formula	C76 H86 F24 N10 Zr2
Calculated formula	C76 H86 F24 N10 Zr2
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	9.1226 ± 0.0005 Å
b	12.3882 ± 0.0007 Å
c	18.5955 ± 0.001 Å
α	77.615 ± 0.001°
β	79.183 ± 0.001°
γ	88.269 ± 0.001°
Cell volume	2016.04 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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