Crystallography Open Database

Information card for entry 4303903

Preview

Coordinates	4303903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H37 Li N2 P2 Se2
Calculated formula	C31 H37 Li N2 P2 Se2
SMILES	[Se]1P(=CP(=[Se][Li]2341[N](C)(C)C3C4[N]2(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
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	19.73 ± 0.004 Å
b	17.919 ± 0.004 Å
c	9.0249 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3190.7 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	4303903.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303903.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303903.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303903.cif