Crystallography Open Database

Information card for entry 7027678

Preview

Coordinates	7027678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H58 Li2 N2 P2 Si4
Calculated formula	C38 H58 Li2 N2 P2 Si4
SMILES	[Li]1[N]([Si](C)(C)C)(=P(C2[Si](C)(C)C)(c3ccccc3)c3ccccc3)[Li]2C(P(=[N]1[Si](C)(C)C)(c1ccccc1)c1ccccc1)[Si](C)(C)C
Title of publication	The synthesis and molecular structures of the crystalline 1-aza-2-phospha(V)allyllithium compounds [Li(LL ′ )(OEt2)2] and [Li(LL ′ )]2 [LL ′ = CH(SiMe3)P(Ph)2NSiMe3] and the preparation and characterisation of the new phosphinimines CH(R1)(R2)P(Ph)2 NSiMe3 [R1 = R2 = SiMe3; R1 = H, R2 = Si(Me)2NEt2] †
Authors of publication	Hitchcock, Peter B.; Lappert, Michael F.; Uiterweerd, Patrick G. H.; Wang, Zhong-Xia
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	19
Pages of publication	3413
a	10.988 ± 0.002 Å
b	11.478 ± 0.002 Å
c	18.753 ± 0.003 Å
α	100.75 ± 0.01°
β	94.93 ± 0.01°
γ	108.83 ± 0.01°
Cell volume	2171.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1154
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for all reflections	0.1762
Weighted residual factors for significantly intense reflections	0.1434
Goodness-of-fit parameter for all reflections	1.037
Goodness-of-fit parameter for significantly intense reflections	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179982 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/76.	7027678.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7027678.cif
95643	2014-01-28	cif/ Adding structures of 7027677, 7027678 via cif-deposit CGI script.	7027678.cif