Crystallography Open Database

Information card for entry 4114124

Preview

Coordinates	4114124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H104 Ga2 N8 Ni
Calculated formula	C66 H96 Ga2 N8 Ni
SMILES	C1=CN([Ga](N1c1c(cccc1C(C)C)C(C)C)[Ni](=C1N(C(=C(N1C)C)C)C)(=C1N(C(=C(N1C)C)C)C)[Ga]1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Analogies between the Reactivities of an Anionic Gallium(I) Heterocycle and N-Heterocyclic Carbenes Toward Metallocenes
Authors of publication	Robert J. Baker; Cameron Jones; Jamie A. Platts
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	10534 - 10535
a	15.991 ± 0.003 Å
b	13.198 ± 0.003 Å
c	16.475 ± 0.003 Å
α	90°
β	96.27 ± 0.03°
γ	90°
Cell volume	3456.2 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1144
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
178912 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/41.	4114124.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114124.cif
67406	2012-09-25	cif/ Adding structures of 4114124 via cif-deposit CGI script.	4114124.cif