Crystallography Open Database

Information card for entry 1545267

Preview

Coordinates	1545267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.55 H59.95 Cl0.15 Pb Ru Si2
Calculated formula	C40.55 H59.95 Cl0.15 Pb Ru Si2
SMILES	[Pb]1([C]2([Ru]345678([C]=2([C]3(=[C]14[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C)[Si](C)(C(C)(C)C)C)C(C)C
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	16.7796 ± 0.0015 Å
b	11.2019 ± 0.0011 Å
c	21.597 ± 0.002 Å
α	90°
β	98.91 ± 0.001°
γ	90°
Cell volume	4010.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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 all reflections	0.0289
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0518
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	1545267.cif
192045	2017-02-14	cif/ Adding structures of 1545265, 1545266, 1545267, 1545268 via cif-deposit CGI script.	1545267.cif