Crystallography Open Database

Information card for entry 4127693

Preview

Coordinates	4127693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C172 H230 Cl12 N4 O36 Rh8
Calculated formula	C172 H230 Cl12 N4 O36 Rh8
Title of publication	Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.
Authors of publication	Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	41
Pages of publication	16232 - 16236
a	19.6255 ± 0.001 Å
b	21.4629 ± 0.001 Å
c	22.5422 ± 0.0011 Å
α	90°
β	109.875 ± 0.002°
γ	90°
Cell volume	8929.7 ± 0.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.0729
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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
220888 (current)	2019-11-02	cif/ Adding structures of 4127691, 4127692, 4127693, 4127694, 4127695 via cif-deposit CGI script.	4127693.cif