Crystallography Open Database

Information card for entry 4083657

Preview

Coordinates	4083657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H62 Li2 N2 P2 Si2
Calculated formula	C28 H62 Li2 N2 P2 Si2
SMILES	P1(=[N]([Si](C)(C)C)[Li]23[CH2]=[C]245C[Li]264([N]([Si](C)(C)C)=P5(C(C)(C)C)C(C)(C)C)[C]13(=[CH2]2)C6)(C(C)(C)C)C(C)(C)C
Title of publication	Main Group Heterocycles from Lithiated Phosphinimines
Authors of publication	Alhomaidan, Osamah; Hollink, Emily; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	12
Pages of publication	3041
a	15.672 ± 0.002 Å
b	13.783 ± 0.002 Å
c	18.216 ± 0.003 Å
α	90°
β	111.9 ± 0.002°
γ	90°
Cell volume	3650.8 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.1019
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
178725 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/36.	4083657.cif
176810	2016-02-21	cif/4 Fixing Z values and formulae	4083657.cif
117703	2014-06-15	cif/ Adding structures of 4083654, 4083655, 4083656, 4083657, 4083658, 4083659, 4083660 via cif-deposit CGI script.	4083657.cif