Crystallography Open Database

Information card for entry 4339001

Preview

Coordinates	4339001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 F8 N10 O P Ru
Calculated formula	C27 H25 F6 N10 O P Ru
SMILES	c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1[n]3cccc1)[n]1c(cncc1)c1n4nnn1.[P](F)(F)(F)(F)(F)[F-].O.C(C)OCC
Title of publication	Polypyridyl ruthenium(II) complexes with tetrazolate-based chelating ligands. Synthesis, reactivity, and electrochemical and photophysical properties.
Authors of publication	Stagni, Stefano; Orselli, Enrico; Palazzi, Antonio; De Cola, Luisa; Zacchini, Stefano; Femoni, Cristina; Marcaccio, Massimo; Paolucci, Francesco; Zanarini, Simone
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9126 - 9138
a	29.426 ± 0.006 Å
b	13.159 ± 0.003 Å
c	16.647 ± 0.003 Å
α	90°
β	111.1 ± 0.03°
γ	90°
Cell volume	6014 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.1588
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
264242 (current)	2021-04-16	cif/4 Fixing some Z values and formulae	4339001.cif
179493	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 4/33/90.	4339001.cif
117060	2014-06-14	cif/ Adding structures of 4339001 via cif-deposit CGI script.	4339001.cif