Crystallography Open Database

Information card for entry 4075604

Preview

Coordinates	4075604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H39 N4 O15 P Pt
Calculated formula	C39 H39 N4 O15 P Pt
SMILES	[Pt]1(c2c(N(=[O]1)=O)c(OC)c(OC)c(OC)c2N(=O)=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(c(OC)c(OC)c(OC)c1N(=O)=O)N(=O)=O.CC(=O)C
Title of publication	Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†
Authors of publication	Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	18
Pages of publication	4247
a	20.9579 ± 0.0014 Å
b	9.4999 ± 0.0006 Å
c	22.4791 ± 0.0016 Å
α	90°
β	115.389 ± 0.003°
γ	90°
Cell volume	4043.3 ± 0.5 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 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	0.0375
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
178645 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/56.	4075604.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075604.cif
49343	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075604 via cif-deposit CGI script.	4075604.cif