Crystallography Open Database

Information card for entry 7002672

Preview

Coordinates	7002672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H32 N5 O P Pt
Calculated formula	C33 H32 N5 O P Pt
SMILES	[Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(n2cnc3c(c2=O)ncn3C)[N](Cc2c1cccc2)(C)C
Title of publication	N1-Coordination in palladium(II) and platinum(II) complexes with 9-methylhypoxanthine: crystal structures and theoretical calculations
Authors of publication	Ruiz, José; Cutillas, Natalia; Villa, María Dolores; López, Gregorio; Espinosa, Arturo; Bautista, Delia
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	43
Pages of publication	9637 - 9644
a	8.4884 ± 0.0004 Å
b	10.0705 ± 0.0005 Å
c	17.4286 ± 0.0008 Å
α	103.46 ± 0.002°
β	94.548 ± 0.002°
γ	90.602 ± 0.002°
Cell volume	1443.71 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0301
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
179730 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/26.	7002672.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002672.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002672.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002672.cif