Crystallography Open Database

Information card for entry 8000093

Preview

Coordinates	8000093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 B N6 Ru
Calculated formula	C31 H31 B N6 Ru
SMILES	[Ru]123456([n]7cccc8ccn(c78)[B](n7ccc8ccc[n]1c78)(n1ccc7cccnc17)[H]6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Synthesis and Reactivity of Tris(7-azaindolyl)boratoruthenium Complex. Comparison with Poly(methimazolyl)borate Analogue
Authors of publication	Saito, Tomoyuki; Kuwata, Shigeki; Ikariya, Takao
Journal of publication	Chemistry Letters
Year of publication	2006
Journal volume	35
Journal issue	11
Pages of publication	1224
a	18.69 ± 0.02 Å
b	11.868 ± 0.01 Å
c	14.23 ± 0.01 Å
α	90°
β	117.052 ± 0.012°
γ	90°
Cell volume	2811 ± 4 Å³
Cell temperature	193.1 K
Number of distinct elements	5
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	0.045
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000093.cif
94249	2014-01-22	cif/ Adding structures of 8000093, 8000094 via cif-deposit CGI script.	8000093.cif