Crystallography Open Database

Information card for entry 1557868

Preview

Coordinates	1557868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H92 B F24 In N2 O6
Calculated formula	C88 H92 B F24 In N2 O6
Title of publication	Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands
Authors of publication	Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	25
Pages of publication	6485 - 6491
a	12.616 ± 0.003 Å
b	13.343 ± 0.003 Å
c	26.255 ± 0.005 Å
α	80.163 ± 0.003°
β	76.369 ± 0.003°
γ	85.869 ± 0.003°
Cell volume	4229.7 ± 1.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.214
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
257337 (current)	2020-10-06	cif/ Updating files of 1557864, 1557865, 1557866, 1557867, 1557868 Original log message: Adding full bibliography for 1557864--1557868.cif.	1557868.cif
253841	2020-07-06	cif/ Updating files of 1557864, 1557865, 1557866, 1557867, 1557868 Original log message: Adding full bibliography for 1557864--1557868.cif.	1557868.cif
251062	2020-04-23	cif/ Adding structures of 1557864, 1557865, 1557866, 1557867, 1557868 via cif-deposit CGI script.	1557868.cif