Crystallography Open Database

Information card for entry 4103406

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Coordinates	4103406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H58 Hf2 I2 N2 O2
Calculated formula	C40 H58 Hf2 I2 N2 O2
Title of publication	Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage
Authors of publication	Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	15340 - 15350
a	17.9895 ± 0.0012 Å
b	14.7281 ± 0.001 Å
c	16.9414 ± 0.0011 Å
α	90°
β	117.545 ± 0.002°
γ	90°
Cell volume	3979.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0651
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1514
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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