Crystallography Open Database

Information card for entry 1568212

Preview

Coordinates	1568212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H69 Br Cl3 Os P3
Calculated formula	C86 H69 Br2 Cl2 Os P3
Title of publication	Heterocyclic Suzuki-Miyaura coupling reaction of metalla-aromatics and mechanistic analysis of site selectivity.
Authors of publication	Lin, Zuzhang; Cai, Yapeng; Zhang, Yaowei; Zhang, Hong; Xia, Haiping
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	5
Pages of publication	1227 - 1233
a	13.8929 ± 0.0003 Å
b	15.2075 ± 0.0003 Å
c	18.0219 ± 0.0004 Å
α	93.513 ± 0.002°
β	96.836 ± 0.002°
γ	101.444 ± 0.002°
Cell volume	3691.25 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0654
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.154
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281357 (current)	2023-03-04	cif/ Updating files of 1568212, 1568213 Original log message: Adding full bibliography for 1568212--1568213.cif.	1568212.cif
280074	2023-01-03	cif/ Adding structures of 1568212, 1568213 via cif-deposit CGI script.	1568212.cif