Crystallography Open Database

Information card for entry 1545266

Preview

Coordinates	1545266.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	IodoPlumboleRuthenocene
Formula	C44 H69 I Pb Ru Si2
Calculated formula	C44 H69 I Pb Ru Si2
SMILES	[Pb]1(I)[C]2([Ru]345678([C]=2([C]3(=[C]14[Si](C(C)(C)C)(C)C)c1ccccc1)c1ccccc1)[c]1([c]7([c]8([c]5([c]61C)C)C)C)C)[Si](C)(C)C(C)(C)C.CCCCCC
Title of publication	Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element
Authors of publication	Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	4
Pages of publication	3092
a	10.393 ± 0.0005 Å
b	22.3163 ± 0.001 Å
c	39.5129 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	9164.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.069
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
195005 (current)	2017-04-05	cif/ Updating files of 1545265, 1545266, 1545267, 1545268 Original log message: Adding full bibliography for 1545265--1545268.cif.	1545266.cif
192045	2017-02-14	cif/ Adding structures of 1545265, 1545266, 1545267, 1545268 via cif-deposit CGI script.	1545266.cif