Crystallography Open Database

Information card for entry 7708133

Preview

Coordinates	7708133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H62 N4 Ru2
Calculated formula	C40 H62 N4 Ru2
Title of publication	Synthesis, structures, and reactivity of isomers of [RuCp*(1,4-(Me<sub>2</sub>N)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)]<sub>2</sub>.
Authors of publication	Longhi, Elena; Risko, Chad; Bacsa, John; Khrustalev, Victor; Rigin, Sergei; Moudgil, Karttikay; Timofeeva, Tatiana V.; Marder, Seth R.; Barlow, Stephen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	37
Pages of publication	13020 - 13030
a	14.2872 ± 0.0004 Å
b	8.62433 ± 0.00019 Å
c	15.3075 ± 0.0004 Å
α	90°
β	105.41 ± 0.003°
γ	90°
Cell volume	1818.34 ± 0.08 Å³
Cell temperature	105 ± 8 K
Ambient diffraction temperature	105 ± 8 K
Number of distinct elements	4
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	0.0635
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.0021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269703 (current)	2021-10-06	cif/ Updating files of 7708131, 7708132, 7708133, 7708134 Original log message: Adding full bibliography for 7708131--7708134.cif.	7708133.cif
268208	2021-08-26	cif/ Adding structures of 7708131, 7708132, 7708133, 7708134 via cif-deposit CGI script.	7708133.cif