Crystallography Open Database

Information card for entry 1568801

Preview

Coordinates	1568801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H75 Bi N5 O4 S2
Calculated formula	C49 H75 Bi N5 O4 S2
Title of publication	Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis
Authors of publication	Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	17
Pages of publication	4549 - 4563
a	33.0206 ± 0.001 Å
b	10.3986 ± 0.0003 Å
c	29.787 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	10227.9 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283144 (current)	2023-05-05	cif/ Updating files of 1568798, 1568799, 1568800, 1568801, 1568802 Original log message: Adding full bibliography for 1568798--1568802.cif.	1568801.cif
282485	2023-04-07	cif/ Adding structures of 1568798, 1568799, 1568800, 1568801, 1568802 via cif-deposit CGI script.	1568801.cif