Crystallography Open Database

Information card for entry 7024282

Preview

Coordinates	7024282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H126 Co N12 Ni O6
Calculated formula	C85 H126 Co N12 Ni O6
SMILES	c12ccccc2N(C(=O)C(C)C)[Co]23([N]1(c1ccccc1N2C(=O)C(C)C)c1ccccc1N3C(=O)C(C)C)C#[N][Ni]123[N](c4c(N1C(=O)C(C)C)cccc4)(c1c(N2C(=O)C(C)C)cccc1)c1c(N3C(=O)C(C)C)cccc1.C(C)[N+](CC)(CC)CC.C(C)[N+](CC)(CC)CC.C(C)[N+](CC)(CC)CC
Title of publication	Chelating tris(amidate) ligands: versatile scaffolds for nickel(II).
Authors of publication	Jones, Matthew B.; Newell, Brian S.; Hoffert, Wesley A.; Hardcastle, Kenneth I.; Shores, Matthew P.; MacBeth, Cora E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	401 - 410
a	19.0019 ± 0.0017 Å
b	19.0019 ± 0.0017 Å
c	21.787 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	6812.7 ± 1.5 Å³
Cell temperature	172 ± 2 K
Ambient diffraction temperature	172 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1447
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1488
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179947 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/42.	7024282.cif
92349	2014-01-12	cif/ Adding structures of 7024282, 7024283, 7024284, 7024285, 7024286 via cif-deposit CGI script.	7024282.cif