Crystallography Open Database

Information card for entry 4075612

Preview

Coordinates	4075612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H33 N4 O15 P Pt
Calculated formula	C37 H33 N4 O15 P Pt
SMILES	[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O)c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O
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	18.1068 ± 0.0011 Å
b	20.7282 ± 0.0013 Å
c	20.7627 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	7792.7 ± 0.8 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0462
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	4075612.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075612.cif
49351	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075612 via cif-deposit CGI script.	4075612.cif