Crystallography Open Database

Information card for entry 7019719

7019718 << 7019719 >> 7019720

Preview

Coordinates	7019719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H90 Ga N4 Na
Calculated formula	C92 H90 Ga N4 Na
SMILES	[Ga]1N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.[Na]1[N](CC[N]1(C)C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1
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	22.532 ± 0.005 Å
b	14.975 ± 0.003 Å
c	22.623 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7633 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1156
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.2277
Weighted residual factors for all reflections included in the refinement	0.2483
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	7019719.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019719.cif
64285	2012-08-12	cif/ Adding structures of 7019714, 7019715, 7019716, 7019717, 7019718, 7019719, 7019720, 7019721, 7019722, 7019723 via cif-deposit CGI script.	7019719.cif