Crystallography Open Database

Information card for entry 1568799

Preview

Coordinates	1568799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 Bi2 Br4 N6 Si4
Calculated formula	C36 H48 Bi2 Br4 N6 Si4
SMILES	C[Si](C)(C)[N]12c3cc(ccc3N3[Bi]2(N(c2cc(ccc23)Br)[Si](C)(C)C)[N]2(c3cc(Br)ccc3N3[Bi]12N(c1cc(Br)ccc31)[Si](C)(C)C)[Si](C)(C)C)Br
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	9.6987 ± 0.0008 Å
b	11.0671 ± 0.0009 Å
c	13.5493 ± 0.0012 Å
α	109.747 ± 0.003°
β	92.089 ± 0.003°
γ	104.352 ± 0.003°
Cell volume	1314.5 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0756
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.184
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1568799.cif
282485	2023-04-07	cif/ Adding structures of 1568798, 1568799, 1568800, 1568801, 1568802 via cif-deposit CGI script.	1568799.cif