Crystallography Open Database

Information card for entry 7714854

Preview

Coordinates	7714854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 Cl N2 O2 Ru
Calculated formula	C29 H29 Cl N2 O2 Ru
SMILES	[Ru]123456(Cl)(OC(=N[N]1=Cc1c7ccccc7ccc1)c1ccc(OC)cc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C
Title of publication	Half-sandwich ruthenium complexes with acylhydrazone ligands: synthesis and catalytic activity in the <i>N</i>-alkylation of hydrazides.
Authors of publication	Li, Heng; Wang, Ke; Yang, Lin; Luo, Yu-Zhou; Yao, Zi-Jian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	6
Pages of publication	2797 - 2806
a	26.2188 ± 0.0018 Å
b	12.3812 ± 0.0008 Å
c	16.2184 ± 0.0011 Å
α	90°
β	99.153 ± 0.002°
γ	90°
Cell volume	5197.8 ± 0.6 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290179 (current)	2024-03-04	cif/ Updating files of 7714854 Original log message: Adding full bibliography for 7714854.cif.	7714854.cif
288582	2024-01-01	cif/ Adding structures of 7714854 via cif-deposit CGI script.	7714854.cif