Crystallography Open Database

Information card for entry 4111320

Preview

Coordinates	4111320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 Ag Cl N2 O2.5
Calculated formula	C29 H26 Ag Cl N2 O2
SMILES	C1(N(C2C(=O)c3ccccc3C(=O)C=2N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Ag]Cl
Title of publication	Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry
Authors of publication	Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16514 - 16515
a	19.196 ± 0.0007 Å
b	19.196 ± 0.0007 Å
c	15.0434 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5543.3 ± 0.3 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111320.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111320.cif
60845	2012-06-18	cif/ Adding structures of 4111320 via cif-deposit CGI script.	4111320.cif