Crystallography Open Database

Information card for entry 4331562

Preview

Coordinates	4331562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 I N3 P2 Ru
Calculated formula	C29 H32 I N3 P2 Ru
SMILES	[Ru]1234(I)([P]56CN7CN(C6)CN(C5)C7)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
Title of publication	Synthesis, Characterization, and DNA Binding of New Water-Soluble Cyclopentadienyl Ruthenium(II) Complexes Incorporating Phosphines
Authors of publication	Romerosa, Antonio; Campos-Malpartida, Tatiana; Lidrissi, Chaker; Saoud, Mustapha; Serrano-Ruiz, Manuel; Peruzzini, Maurizio; Garrido-Cárdenas, Jose Antonio; García-Maroto, Federico
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1289 - 1298
a	9.891 ± 0.0004 Å
b	18.823 ± 0.0007 Å
c	14.4419 ± 0.0006 Å
α	90°
β	98.499 ± 0.001°
γ	90°
Cell volume	2659.24 ± 0.18 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0502
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	0.929
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
179418 (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 4/33/15.	4331562.cif
97706	2014-01-29	cif/ Adding structures of 4331562 via cif-deposit CGI script.	4331562.cif