Crystallography Open Database

Information card for entry 4088679

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Coordinates	4088679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Hf
Calculated formula	C28 H36 Hf
Title of publication	Zirconium and Hafnium Permethylpentalene Compounds
Authors of publication	Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	12
Pages of publication	2092
a	17.1993 ± 0.0003 Å
b	28.0554 ± 0.0005 Å
c	18.4489 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8902.2 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for all reflections	0.2363
Weighted residual factors for significantly intense reflections	0.1889
Weighted residual factors for all reflections included in the refinement	0.2361
Goodness-of-fit parameter for all reflections included in the refinement	0.9683
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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