Crystallography Open Database

Information card for entry 4301466

Preview

Coordinates	4301466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 Cl4 Ga N2 P Se
Calculated formula	C24 H44 Cl4 Ga N2 P Se
SMILES	[Se]1(N=CC=[N]1C(C)(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Cl[Ga]([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	11.032 ± 0.002 Å
b	36.409 ± 0.007 Å
c	15.717 ± 0.003 Å
α	90°
β	99.22 ± 0.03°
γ	90°
Cell volume	6231 ± 2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	4301466.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301466.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301466.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301466.cif