Crystallography Open Database

Information card for entry 4331480

Preview

Coordinates	4331480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 Cl F3 N7 O4 Ru S
Calculated formula	C34 H51 Cl F3 N7 O4 Ru S
SMILES	[Ru]123(Cl)([OH2])[N](Cc4[n]1c(NCC(C)(C)C)ccc4)(Cc1[n]2c(NCC(C)(C)C)ccc1)Cc1[n]3c(NCC(C)(C)C)ccc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites
Authors of publication	Jitsukawa, Koichiro; Oka, Yoshiyuki; Yamaguchi, Syuhei; Masuda, Hideki
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Journal issue	25
Pages of publication	8119 - 8129
a	22.457 ± 0.004 Å
b	23.066 ± 0.006 Å
c	16.692 ± 0.002 Å
α	90°
β	95.99 ± 0.01°
γ	90°
Cell volume	8599 ± 3 Å³
Cell temperature	288.2 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Duplicate of	4312186
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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