Crystallography Open Database

Information card for entry 7024199

Preview

Coordinates	7024199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H30 Cl3 N11 O13 Pt2
Calculated formula	C13 H30 Cl3 N11 O13 Pt2
SMILES	[Pt]12(n3c4nc([nH]c(=O)c4[n]([Pt]45[NH2]CC[NH]4CC[NH2]5)c3)N)[NH2]CC[NH]1CC[NH2]2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Pt(II) complexes of unsubstituted guanine and 7-methylguanine.
Authors of publication	Gupta, Deepali; Nowak, Ralf; Lippert, Bernhard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	1
Pages of publication	73 - 84
a	7.93 ± 0.0016 Å
b	14.494 ± 0.003 Å
c	25.137 ± 0.006 Å
α	90°
β	106.58 ± 0.03°
γ	90°
Cell volume	2769.1 ± 1.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
179946 (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 7/02/41.	7024199.cif
92272	2014-01-12	cif/ Adding structures of 7024198, 7024199, 7024200, 7024201, 7024202, 7024203 via cif-deposit CGI script.	7024199.cif