Crystallography Open Database

Information card for entry 4343190

Preview

Coordinates	4343190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 Cl4 N4 O5 Pt
Calculated formula	C19 H20 Cl4 N4 O5 Pt
SMILES	[Pt]1234([CH]5=[CH]3CC[CH]2=[CH]1CC5)[n]1c2c(c3occc43)ncnc2n(c1)C.ClC(Cl)Cl.Cl(=O)(=O)(=O)[O-]
Title of publication	Regioselectivity of the C-metalation of 6-furylpurine: importance of directing effects.
Authors of publication	Sinha, Indranil; Hepp, Alexander; Schirmer, Birgitta; Kösters, Jutta; Neugebauer, Johannes; Müller, Jens
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	9
Pages of publication	4183 - 4185
a	7.0458 ± 0.0003 Å
b	13.6789 ± 0.0007 Å
c	13.7056 ± 0.0006 Å
α	65.088 ± 0.001°
β	79.045 ± 0.001°
γ	75.1 ± 0.001°
Cell volume	1152.7 ± 0.09 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
137935 (current)	2015-06-04	cif/ Adding structures of 4343190 via cif-deposit CGI script.	4343190.cif