Crystallography Open Database

Information card for entry 7247437

Preview

Coordinates	7247437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Cl2 Co I O3 P S
Calculated formula	C29 H31 Cl2 Co I O3 P S
Title of publication	Co(dppbsa)-catalyzed reductive N,N-dimethylation of nitroaromatics with CO2 and hydrosilane
Authors of publication	Ma, Shuang-Shuang; Sun, Rui; Zhang, Zi-Heng; Guan, Peng-Xin; Lin, Jin-Qing; Li, Chun-Shan; Xu, Bao-Hua
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	21
Pages of publication	8625 - 8632
a	10.7008 ± 0.0004 Å
b	13.6759 ± 0.0003 Å
c	11.2342 ± 0.0005 Å
α	90°
β	113.51 ± 0.005°
γ	90°
Cell volume	1507.58 ± 0.11 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287361 (current)	2023-11-06	cif/ Updating files of 7247437 Original log message: Adding full bibliography for 7247437.cif.	7247437.cif
286494	2023-09-24	cif/ Adding structures of 7247437 via cif-deposit CGI script.	7247437.cif