Crystallography Open Database

Information card for entry 4109360

Preview

Coordinates	4109360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H94 Ga N6 Nd O Si3
Calculated formula	C52 H94 Ga N6 Nd O Si3
SMILES	[Nd]1(N(CCN2C=1N(C=C2[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)([Ga]1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1
Title of publication	A Lanthanide-Gallium Complex Stabilized by the N-Heterocyclic Carbene Group
Authors of publication	Polly L. Arnold; Stephen T. Liddle; Jonathan McMaster; Cameron Jones; David P. Mills
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	5360 - 5361
a	14.0875 ± 0.0005 Å
b	19.1557 ± 0.0006 Å
c	22.0078 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5938.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
178839 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93.	4109360.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109360.cif
58126	2012-05-25	cif/ Adding structures of 4109360 via cif-deposit CGI script.	4109360.cif