Crystallography Open Database

Information card for entry 4312181

Preview

Coordinates	4312181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H51 Cl2 N7 O4 Ru
Calculated formula	C35 H45 Cl2 N7 O4 Ru
SMILES	[Ru]123(Cl)(Cl)[N](Cc4[n]1c(NC(=O)C(C)(C)C)ccc4)(Cc1[n]2c(NC(=O)C(C)(C)C)ccc1)Cc1[n]3c(NC(=O)C(C)(C)C)ccc1.OCC
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	16.858 ± 0.002 Å
b	11.704 ± 0.001 Å
c	21.433 ± 0.001 Å
α	90°
β	110.29 ± 0.006°
γ	90°
Cell volume	3966.5 ± 0.6 Å³
Cell temperature	288.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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