Crystallography Open Database

Information card for entry 4301465

Preview

Coordinates	4301465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Cl4 Ga N2 P Se
Calculated formula	C24 H26 Cl4 Ga N2 P Se
SMILES	[Se]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](=CC=N1)C(C)(C)C.[Ga](Cl)(Cl)(Cl)[Cl-]
Title of publication	Donor-Acceptor Chemistry at Heavy Chalcogen Centers
Authors of publication	Jason L. Dutton; Paul J. Ragogna
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	1722 - 1730
a	11.879 ± 0.002 Å
b	11.763 ± 0.002 Å
c	20.177 ± 0.004 Å
α	90°
β	94.38 ± 0.03°
γ	90°
Cell volume	2811.2 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0679
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179052 (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 4/30/14.	4301465.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301465.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301465.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301465.cif