Crystallography Open Database

Information card for entry 4303904

Preview

Coordinates	4303904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H45 Li N2 P2 Se2
Calculated formula	C19 H45 Li N2 P2 Se2
SMILES	[Se]1P(=CP(=[Se][Li]21[N](C)(C)CC[N]2(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
Title of publication	Structural and Spectroscopic Studies of the PCP-Bridged Heavy Chalcogen-Centered Monoanions [HC(PPh2E)(PPh2)]- (E = Se, Te) and [HC(PR2E)2]- (E = Se, Te, R = Ph; E = Se, R =iPr): Homoleptic Group 12 Complexes and One-Electron Oxidation of [HC(PR2Se)2]-
Authors of publication	Jari Konu; Heikki M. Tuononen; Tristram Chivers
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	11788 - 11798
a	10.329 ± 0.002 Å
b	11.919 ± 0.002 Å
c	12.019 ± 0.002 Å
α	93.99 ± 0.03°
β	95.6 ± 0.03°
γ	112.56 ± 0.03°
Cell volume	1350.7 ± 0.5 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	0.038
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179077 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/39.	4303904.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303904.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303904.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303904.cif