Crystallography Open Database

Information card for entry 4332777

Preview

Coordinates	4332777.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-bis(triphenylphosphine)-(cytosine,N3)-(cytosinato,N4) -platinum(II) nitrate water dimethylformamide solvated
Formula	C49 H52 N8 O7 P2 Pt
Calculated formula	C49 H52 N8 O7 P2 Pt
SMILES	[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([n]1c(=O)n(C)ccc1N)Nc1nc(=O)n(C)cc1.N(=O)(=O)[O-].N(C=O)(C)C.O
Title of publication	Mono- and Polynuclear Complexes of the Model Nucleobase 1-Methylcytosine. Synthesis and Characterization ofcis-[(PMe2Ph)2Pt{(1-MeCy(−H)}]3(NO3)3andcis-[(PPh3)2Pt{1-MeCy(−H)}(1-MeCy)]NO3
Authors of publication	Longato, Bruno; Montagner, Diego; Zangrando, Ennio
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	20
Pages of publication	8179 - 8187
a	13.19 ± 0.003 Å
b	38.648 ± 0.005 Å
c	9.754 ± 0.003 Å
α	90°
β	110.3 ± 0.02°
γ	90°
Cell volume	4663 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.031
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179430 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/27.	4332777.cif
98542	2014-01-30	cif/ Adding structures of 4332776, 4332777 via cif-deposit CGI script.	4332777.cif