Crystallography Open Database

Information card for entry 4345162

Preview

Coordinates	4345162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H31 Cu2 I4 N5
Calculated formula	C25 H31 Cu2 I4 N5
SMILES	I[Cu]12[I][Cu]2(I)[I]1.n1(Cc2[n+](nn(c2)c2c(cc(cc2C)C)C)C)cc[n+](c2c(cc(cc2C)C)C)c1
Title of publication	Bridged N-Heterocyclic/Mesoionic (NHC/MIC) Heterodicarbenes as Ligands for Transition Metal Complexes.
Authors of publication	Mendoza-Espinosa, Daniel; Alvarez-Hernández, Alejandro; Angeles-Beltrán, Deyanira; Negrón-Silva, Guillermo E; Suárez-Castillo, Oscar R; Vásquez-Pérez, José M
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	2092 - 2099
a	12.417 ± 0.0005 Å
b	16.4991 ± 0.0006 Å
c	16.1653 ± 0.0007 Å
α	90°
β	95.651 ± 0.004°
γ	90°
Cell volume	3295.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0449
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
193424 (current)	2017-03-04	cif/ Updating files of 4345162, 4345163 Original log message: Adding full bibliography for 4345162--4345163.cif.	4345162.cif
191773	2017-02-05	cif/ Adding structures of 4345162, 4345163 via cif-deposit CGI script.	4345162.cif