Crystallography Open Database

Information card for entry 4312182

Preview

Coordinates	4312182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H40 Cl F6 N6 O3 P Ru
Calculated formula	C29 H36 Cl F6 N6 O3 P Ru
SMILES	Cl[Ru]1234[O]=C(Nc5[n]3c(C[N]1(Cc1[n]2c(NC(=O)C(C)(C)C)ccc1)Cc1[n]4cccc1)ccc5)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].OC
Title of publication	Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites
Authors of publication	Koichiro Jitsukawa; Yoshiyuki Oka; Syuhei Yamaguchi; Hideki Masuda
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8119 - 8129
a	11.048 ± 0.007 Å
b	13.137 ± 0.002 Å
c	13.427 ± 0.002 Å
α	80.17 ± 0.08°
β	88.29 ± 0.08°
γ	75.47 ± 0.04°
Cell volume	1858.6 ± 1.4 Å³
Cell temperature	273.2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.2574
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4312182.html