Crystallography Open Database

Information card for entry 4336305

Preview

Coordinates	4336305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H30 Cl3 Ga P2
Calculated formula	C37 H30 Cl3 Ga P2
SMILES	C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[Ga](Cl)(Cl)Cl
Title of publication	Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties
Authors of publication	Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11493 - 11502
a	15.8249 ± 0.0008 Å
b	11.5094 ± 0.0006 Å
c	18.4355 ± 0.0008 Å
α	90°
β	109.422 ± 0.001°
γ	90°
Cell volume	3166.7 ± 0.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
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	0.0496
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
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
179466 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/63.	4336305.cif
102283	2014-02-19	cif/ Adding structures of 4336305 via cif-deposit CGI script.	4336305.cif