Crystallography Open Database

Information card for entry 1514723

Preview

Coordinates	1514723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H41 Cl Co Ga N2 O4
Calculated formula	C33 H41 Cl Co Ga N2 O4
SMILES	[Ga]1(Cl)(N(C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[Co](C#[O])(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	21.4272 ± 0.0001 Å
b	16.8902 ± 0.0001 Å
c	21.5723 ± 0.0002 Å
α	90°
β	108.729 ± 0.0004°
γ	90°
Cell volume	7393.79 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for all reflections	0.0992
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	0.9727
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
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.	1514723.cif
110235	2014-04-18	cif/ Adding structures of 1514718, 1514719, 1514720, 1514721, 1514722, 1514723, 1514724, 1514725 via cif-deposit CGI script.	1514723.cif