Crystallography Open Database

Information card for entry 7029951

Preview

Coordinates	7029951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 I2 N4 O2
Calculated formula	C18 H28 I2 N4 O2
SMILES	n1(c[n+](cc1)[C@@H]1[C@H]2OC[C@@H]([C@H]2OC1)n1c[n+](cc1)C(C)C)C(C)C.[I-].[I-]
Title of publication	Chiral Ag(I) and Pt(II) complexes of ditopic NHC ligands: synthesis, structural and spectroscopic properties.
Authors of publication	Marshall, Paul; Jenkins, Robert L.; Clegg, William; Harrington, Ross W.; Callear, Samantha K.; Coles, Simon J.; Fallis, Ian A.; Dervisi, Athanasia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	41
Pages of publication	12839 - 12846
a	8.9301 ± 0.0002 Å
b	10.8793 ± 0.0002 Å
c	23.2605 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2259.83 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180005 (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 7/02/99.	7029951.cif
111041	2014-04-20	cif/ Adding structures of 7029951, 7029952, 7029953 via cif-deposit CGI script.	7029951.cif