Crystallography Open Database

Information card for entry 8000094

Preview

Coordinates	8000094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 B N6 O Ru
Calculated formula	C32 H31 B N6 O Ru
SMILES	[Ru]12345([n]6cccc7ccn(c67)[B](n6ccc7cccnc67)(n6ccc7cccnc67)[H]5)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)C#[O]
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	13.96 ± 0.006 Å
b	18.284 ± 0.008 Å
c	22.604 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	5770 ± 4 Å³
Cell temperature	193.1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.215
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	8000094.cif
94249	2014-01-22	cif/ Adding structures of 8000093, 8000094 via cif-deposit CGI script.	8000094.cif