Crystallography Open Database

Information card for entry 4069385

Preview

Coordinates	4069385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H54 Li4 O4 P2
Calculated formula	C34 H54 Li4 O4 P2
SMILES	P12(=[CH2]3[Li]4([O]5CCCC5)[CH2]5[Li]3([O]3CCCC3)[CH2]2[Li]2([CH2]1[Li]1([O]3CCCC3)[CH2]2P5(=[CH2]41)c1ccccc1)[O]1CCCC1)c1ccccc1
Title of publication	The Carbanionic Phosphoylide Dianion [PhP(CH2)3]2−, Isoelectronic with Phosphonate Dianions [RP(O)3]2−
Authors of publication	Less, Robert J.; Naseri, Vesal; Wright, Dominic S.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	13
Pages of publication	3594
a	9.3429 ± 0.0002 Å
b	13.682 ± 0.0002 Å
c	14.1035 ± 0.0003 Å
α	90°
β	92.8718 ± 0.0007°
γ	90°
Cell volume	1800.58 ± 0.06 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
178582 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/93.	4069385.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069385.cif
40274	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069385 via cif-deposit CGI script.	4069385.cif