Crystallography Open Database

Information card for entry 7245934

Preview

Coordinates	7245934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13.5 H17 B0.5 Cl F2 N2 Rh0.5
Calculated formula	C13.5 H17 B0.5 Cl F2 N2 Rh0.5
Title of publication	Coordination assembly enables highly selective catalytic hydroaminomethylation of olefins
Authors of publication	Qian, Chun; Zheng, Qingshu; Chen, Jie; Tu, Bo; Tu, Tao
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	4
Pages of publication	1368 - 1379
a	13.617 ± 0.001 Å
b	17.292 ± 0.0012 Å
c	13.8897 ± 0.001 Å
α	90°
β	116.871 ± 0.002°
γ	90°
Cell volume	2917.4 ± 0.4 Å³
Cell temperature	181 ± 2 K
Ambient diffraction temperature	181 ± 2 K
Number of distinct elements	7
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	0.0428
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281473 (current)	2023-03-04	cif/ Updating files of 7245933, 7245934, 7245935 Original log message: Adding full bibliography for 7245933--7245935.cif.	7245934.cif
279635	2022-11-30	cif/ Adding structures of 7245933, 7245934, 7245935 via cif-deposit CGI script.	7245934.cif