Crystallography Open Database

Information card for entry 4312185

Preview

Coordinates	4312185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H45 Cl3 N7 O3 Ru
Calculated formula	C33 H45 Cl3 N7 O3 Ru
SMILES	[Ru]12(Cl)(Cl)(Cl)[N](Cc3[n]1c(NC(=O)C(C)(C)C)ccc3)(Cc1[n]2c(NC(=O)C(C)(C)C)ccc1)Cc1nc(NC(=O)C(C)(C)C)ccc1
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	9.203 ± 0.007 Å
b	32.344 ± 0.001 Å
c	13.077 ± 0.007 Å
α	90°
β	94.39 ± 0.01°
γ	90°
Cell volume	3881 ± 4 Å³
Cell temperature	273.2 K
Number of distinct elements	6
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	0.0597
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.283
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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