Crystallography Open Database

Information card for entry 4075553

Preview

Coordinates	4075553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H59 Ag Cl2 N4
Calculated formula	C47 H59 Ag Cl2 N4
SMILES	[Ag]1(N(C(=CC(=[N]1c1ccc(cc1)C(C)(C)C)C)C)c1ccc(cc1)C(C)(C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)Cl
Title of publication	Monomeric Silver(I) β-Diketiminate Complexes
Authors of publication	Chiong, Hendrich A.; Daugulis, Olafs
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	17
Pages of publication	4054
a	10.5729 ± 0.0013 Å
b	13.5428 ± 0.0017 Å
c	17.4597 ± 0.0021 Å
α	103.561 ± 0.002°
β	92.768 ± 0.002°
γ	109.991 ± 0.002°
Cell volume	2261.2 ± 0.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4075553.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075553.cif
49307	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075553 via cif-deposit CGI script.	4075553.cif