Crystallography Open Database

Information card for entry 4082489

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Coordinates	4082489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 N2 P2 Si
Calculated formula	C38 H34 N2 P2 Si
SMILES	N1([SiH](N(CP(c2ccccc2)c2ccccc2)c2c1cccc2)c1ccccc1)CP(c1ccccc1)c1ccccc1
Title of publication	N-Heterocyclic Silyl Pincer Ligands
Authors of publication	Dixon, Lily S. H.; Hill, Anthony F.; Sinha, Arup; Ward, Jas S.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	3
Pages of publication	653
a	10.5915 ± 0.0003 Å
b	13.0298 ± 0.0003 Å
c	13.0621 ± 0.0003 Å
α	71.6251 ± 0.0016°
β	78.7715 ± 0.0016°
γ	68.7673 ± 0.0014°
Cell volume	1587.97 ± 0.07 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0663
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for all reflections	0.1094
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	0.9815
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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