Crystallography Open Database

Information card for entry 7019721

7019720 << 7019721 >> 7019722

Preview

Coordinates	7019721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H92 Ga N4 Na O2
Calculated formula	C82 H92 Ga N4 Na O2
SMILES	[Ga]1(N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)[Na]1([O](CC)CC)[N](CC[N]1(C)C)(C)C.O(CC)CC
Title of publication	Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.
Authors of publication	Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	31
Pages of publication	9304 - 9315
a	12.676 ± 0.003 Å
b	20.958 ± 0.004 Å
c	14.496 ± 0.003 Å
α	90°
β	111.37 ± 0.03°
γ	90°
Cell volume	3586.3 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179901 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/97.	7019721.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019721.cif
64285	2012-08-12	cif/ Adding structures of 7019714, 7019715, 7019716, 7019717, 7019718, 7019719, 7019720, 7019721, 7019722, 7019723 via cif-deposit CGI script.	7019721.cif