Crystallography Open Database

Information card for entry 4135361

Preview

Coordinates	4135361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C184 H204 Cl24 N4 O32 Rh8
Calculated formula	C184 H204 Cl24 N4 O32 Rh8
Title of publication	<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.
Authors of publication	Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	47
Pages of publication	19862 - 19867
a	15.6237 ± 0.0009 Å
b	17.2551 ± 0.0008 Å
c	19.6274 ± 0.0013 Å
α	111.577 ± 0.002°
β	94.521 ± 0.002°
γ	96.215 ± 0.002°
Cell volume	4851.2 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation probe	x-ray
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
259520 (current)	2020-12-04	cif/ Updating files of 4135359, 4135360, 4135361, 4135362, 4135363 Original log message: Adding full bibliography for 4135359--4135363.cif.	4135361.cif
259122	2020-11-13	cif/ Adding structures of 4135359, 4135360, 4135361, 4135362, 4135363 via cif-deposit CGI script.	4135361.cif