Crystallography Open Database

Information card for entry 7002673

Preview

Coordinates	7002673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 Cl N5 O5 P Pt
Calculated formula	C33 H33 Cl N5 O5 P Pt
SMILES	[Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2c3c(nc[nH]c3=O)n(c2)C)[N](Cc2c1cccc2)(C)C.Cl(=O)(=O)(=O)[O-]
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	8.8061 ± 0.0004 Å
b	9.5922 ± 0.0005 Å
c	19.6841 ± 0.0011 Å
α	94.609 ± 0.002°
β	100.862 ± 0.002°
γ	102.408 ± 0.002°
Cell volume	1582.07 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0162
Residual factor for significantly intense reflections	0.0158
Weighted residual factors for significantly intense reflections	0.0392
Weighted residual factors for all reflections included in the refinement	0.0394
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	7002673.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002673.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002673.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002673.cif