Crystallography Open Database

Information card for entry 4075856

Preview

Coordinates	4075856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H73 Al N6 P2 Si4 Ta2
Calculated formula	C52 H73 Al N6 P2 Si4 Ta2
SMILES	[Ta]1234([TaH]56([P](C[Si](N6c6ccccc6)(C)C)(C[Si](N([Al](=[N]=3)(CC(C)C)[H]5)c3ccccc3)(C)C)c3ccccc3)=[N]=4)[P](C[Si](N1c1ccccc1)(C)C)(C[Si](N2c1ccccc1)(C)C)c1ccccc1
Title of publication	Hydroalumination of a Dinuclear Tantalum Dinitrogen Complex: N−N Bond Cleavage and Ancillary Ligand Rearrangement
Authors of publication	MacKay, Bruce A.; Patrick, Brian O.; Fryzuk, Michael D.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	16
Pages of publication	3836
a	20.4244 ± 0.0005 Å
b	19.9666 ± 0.0005 Å
c	29.2898 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	11944.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	0.833
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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