Crystallography Open Database

Information card for entry 7242153

Preview

Coordinates	7242153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H34 F6 N5 O2 P Ru
Calculated formula	C33 H26 F6 N5 P Ru
SMILES	c1cccc2c3cccc[n]3[Ru]34(C(=Cc5cccc[n]45)c4ccccc4)([n]12)[n]1ccccc1c1cccc[n]31.[P](F)(F)(F)(F)(F)[F-]
Title of publication	First cycloruthenation of 2-alkenylpyridines: synthesis, characterization and properties
Authors of publication	Wu, Yuhao; Su, Xianlong; Xie, Chaoyi; Hu, Rongrong; Li, Xianghong; Zhao, Qiang; Zheng, Guoli; Yan, Junkun
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	7
Pages of publication	4138 - 4146
a	7.5639 ± 0.0004 Å
b	12.0236 ± 0.0005 Å
c	19.0129 ± 0.0009 Å
α	99.165 ± 0.003°
β	93.603 ± 0.003°
γ	91.597 ± 0.003°
Cell volume	1702.43 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1864
Weighted residual factors for all reflections included in the refinement	0.2026
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
261098 (current)	2021-01-21	cif/ Adding structures of 7242153 via cif-deposit CGI script.	7242153.cif