Crystallography Open Database

Information card for entry 7158042

Preview

Coordinates	7158042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H32 Cl2 O2 P2 Ru
Calculated formula	C37 H32 Cl2 O2 P2 Ru
Title of publication	Direct <i>N</i>-alkylation of sulfur-containing amines.
Authors of publication	Li, Chen; Ge, Min-Tong; Bai, Liang; Xia, Ai-Bao; Xu, Dan-Qian; Xu, Zhen-Yuan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	20
Pages of publication	4478 - 4482
a	24.164 ± 0.0005 Å
b	9.5229 ± 0.0002 Å
c	15.7986 ± 0.0003 Å
α	90°
β	116.639 ± 0.001°
γ	90°
Cell volume	3249.53 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	172.99 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	0.031
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
266166 (current)	2021-06-05	cif/ Updating files of 7158042 Original log message: Adding full bibliography for 7158042.cif.	7158042.cif
264570	2021-04-27	cif/ Adding structures of 7158042 via cif-deposit CGI script.	7158042.cif