Crystallography Open Database

Information card for entry 4331233

Preview

Coordinates	4331233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H42 Ga N Si
Calculated formula	C51 H42 Ga N Si
SMILES	[Ga]N([Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1
Title of publication	Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through Extreme Ligand Steric Bulk
Authors of publication	Deepak Dange; Jiaye Li; Christian Schenk; Hansgeorg Schnöckel; Cameron Jones
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	13050 - 13059
a	10.5031 ± 0.0004 Å
b	10.7024 ± 0.0004 Å
c	19.9408 ± 0.0008 Å
α	94.447 ± 0.003°
β	90.037 ± 0.003°
γ	118.298 ± 0.004°
Cell volume	1965.91 ± 0.15 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.2734
Weighted residual factors for all reflections included in the refinement	0.2837
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
179415 (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 4/33/12.	4331233.cif
80697	2013-04-08	cif/ Adding structures of 4331233 via cif-deposit CGI script.	4331233.cif