Crystallography Open Database

Information card for entry 1514725

Preview

Coordinates	1514725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H53 B Co F24 Ga N2 O4
Calculated formula	C65 H53 B Co F24 Ga N2 O4
SMILES	FC(c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F.[O]#C[Co]([Ga]1N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])C#[O]
Title of publication	Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}
Authors of publication	Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	11
Pages of publication	4245
a	12.5663 ± 0.0002 Å
b	13.2686 ± 0.0003 Å
c	20.7262 ± 0.0004 Å
α	78.4857 ± 0.0019°
β	83.9447 ± 0.0017°
γ	83.4912 ± 0.0018°
Cell volume	3352.25 ± 0.12 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for all reflections	0.1228
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	0.9839
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1514725.cif
110235	2014-04-18	cif/ Adding structures of 1514718, 1514719, 1514720, 1514721, 1514722, 1514723, 1514724, 1514725 via cif-deposit CGI script.	1514725.cif