Crystallography Open Database

Information card for entry 7035491

Preview

Coordinates	7035491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H52 Cl6 N O8 Ru2
Calculated formula	C26 H52 Cl6 N O8 Ru2
Title of publication	An unprecedented up-field shift in the (13)C NMR spectrum of the carboxyl carbons of the lantern-type dinuclear complex TBA[Ru2(O2CCH3)4Cl2] (TBA(+) = tetra(n-butyl)ammonium cation).
Authors of publication	Hiraoka, Yuya; Ikeue, Takahisa; Sakiyama, Hiroshi; Guégan, Frédéric; Luneau, Dominique; Gillon, Béatrice; Hiromitsu, Ichiro; Yoshioka, Daisuke; Mikuriya, Masahiro; Kataoka, Yusuke; Handa, Makoto
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	30
Pages of publication	13439 - 13443
a	11.9262 ± 0.0014 Å
b	12.4678 ± 0.0015 Å
c	13.3115 ± 0.0016 Å
α	76.86 ± 0.002°
β	82.601 ± 0.002°
γ	86.546 ± 0.002°
Cell volume	1910.5 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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
153149 (current)	2015-08-08	cif/ Updating files of 7035491 Original log message: Adding full bibliography for 7035491.cif.	7035491.cif
139455	2015-06-20	cif/ Adding structures of 7035491 via cif-deposit CGI script.	7035491.cif