Crystallography Open Database

Information card for entry 4114123

Preview

Coordinates	4114123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76.75 H108 Ga2 K2 N6 Ni
Calculated formula	C76.75 H98 Ga2 K2 N6 Ni
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	22.496 ± 0.005 Å
b	13.385 ± 0.003 Å
c	26.155 ± 0.005 Å
α	90°
β	99.54 ± 0.03°
γ	90°
Cell volume	7767 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1242
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.1899
Weighted residual factors for all reflections included in the refinement	0.2105
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4114123.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114123.cif
67405	2012-09-25	cif/ Adding structures of 4114123 via cif-deposit CGI script.	4114123.cif