Crystallography Open Database

Information card for entry 7247860

Preview

Coordinates	7247860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 Cl N O Ru
Calculated formula	C29 H36 Cl N O Ru
SMILES	[Ru]123456(Cl)(Oc7c(C=[N]1c1c(C(C)C)cccc1C(C)C)cccc7)[cH]1[cH]4[c]3([cH]2[cH]6[c]51C)C(C)C
Title of publication	A highly active and chemoselective homobimetallic ruthenium catalyst for one-pot reductive amination in water
Authors of publication	Deshmukh, Gopal; Rana, Thakur Rochak Kumar; Yadav, Nikita; Rajaraman, Gopalan; Murugavel, Ramaswamy
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	3
Pages of publication	1610 - 1626
a	11.3984 ± 0.0001 Å
b	12.3026 ± 0.0001 Å
c	18.3366 ± 0.0002 Å
α	90°
β	99.351 ± 0.001°
γ	90°
Cell volume	2537.17 ± 0.04 Å³
Cell temperature	104.5 ± 0.7 K
Ambient diffraction temperature	104.5 ± 0.7 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
290224 (current)	2024-03-04	cif/ Updating files of 7247859, 7247860 Original log message: Adding full bibliography for 7247859--7247860.cif.	7247860.cif
288296	2023-12-14	cif/ Adding structures of 7247859, 7247860 via cif-deposit CGI script.	7247860.cif