Crystallography Open Database

Information card for entry 4346790

Preview

Coordinates	4346790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H121 Cl8 Cu2 N12 O2
Calculated formula	C96 H121 Cl8 Cu2 N12 O2
SMILES	[Cu]123[Cu]([N](=C(N1c1ccc(cc1)C)c1n(cc[n+]1C1CCCCC1)C1CCCCC1)c1ccc(cc1)C)([N](=C(N2c1ccc(cc1)C)c1n(cc[n+]1C1CCCCC1)C1CCCCC1)c1ccc(cc1)C)[N](=C(N3c1ccc(cc1)C)c1n(cc[n+]1C1CCCCC1)C1CCCCC1)c1ccc(cc1)C.[O-]C(=O)C.ClCCl.ClCCl.ClCCl.ClCCl
Title of publication	Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.
Authors of publication	Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	11007 - 11017
a	17.3087 ± 0.0007 Å
b	24.7043 ± 0.001 Å
c	26.6237 ± 0.0012 Å
α	90°
β	90.907 ± 0.002°
γ	90°
Cell volume	11382.8 ± 0.8 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.142
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2581
Weighted residual factors for all reflections included in the refinement	0.2856
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
231981 (current)	2019-11-23	cif/ Adding structures of 4346785, 4346786, 4346787, 4346788, 4346789, 4346790, 4346791, 4346792, 4346793 via cif-deposit CGI script.	4346790.cif