Crystallography Open Database

Information card for entry 1512777

Preview

Coordinates	1512777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 B F4 N O2 P2 Pt
Calculated formula	C42 H42 B F4 N O2 P2 Pt
SMILES	C1(=O)[C@H](CC(C)C)[NH2][Pt](O1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	Synthesis, characterization and cytotoxicity studies of platinum(II) complexes with amino acid ligands in various coordination modes
Authors of publication	Sangeeta Roy Chaudhuri; Goran N. Kaluderovic; Martin Bette; Jurgen Schmidt; Harry Schmidt; Reinhard Paschke; Dirk Steinborn
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	472 - 480
a	12.7036 ± 0.0009 Å
b	23.773 ± 0.002 Å
c	13.5624 ± 0.0009 Å
α	90°
β	106.322 ± 0.007°
γ	90°
Cell volume	3930.8 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512777.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512777.cif
90862	2013-11-20	cif/ Adding structures of 1512777 via cif-deposit CGI script.	1512777.cif