Crystallography Open Database

Information card for entry 4088644

Preview

Coordinates	4088644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H42 N2 O2 Ru2
Calculated formula	C32 H42 N2 O2 Ru2
SMILES	[Ru]1234567([H][Ru]789%10%11%12%13%14([n]%151[c]%14(cc(OC)cc%15)[c]18[c]29c(ccn1)OC)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
Title of publication	Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by a Trinuclear Complex of Ruthenium and Cobalt
Authors of publication	Nagaoka, Masahiro; Kawashima, Takashi; Suzuki, Hiroharu; Takao, Toshiro
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	14
Pages of publication	2348
a	12.0336 ± 0.0004 Å
b	8.753 ± 0.0003 Å
c	28.6544 ± 0.0008 Å
α	90°
β	102.111 ± 0.0011°
γ	90°
Cell volume	2951 ± 0.16 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
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	0.0276
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237747 (current)	2019-11-24	cif/ Adding structures of 4088644, 4088645, 4088646, 4088647, 4088648, 4088649 via cif-deposit CGI script.	4088644.cif