Crystallography Open Database

Information card for entry 1572323

Preview

Coordinates	1572323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H56 Bi Ga N2 Si2
Calculated formula	C33 H56 Bi Ga N2 Si2
SMILES	[Bi]([GaH2]=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Synthesis of bismuthanyl-substituted monomeric triel hydrides.
Authors of publication	Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	36
Pages of publication	14837 - 14843
a	19.3792 ± 0.0003 Å
b	19.2881 ± 0.0002 Å
c	20.2475 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	7568.27 ± 0.16 Å³
Cell temperature	122.99 ± 0.1 K
Ambient diffraction temperature	122.99 ± 0.1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
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
295179 (current)	2024-10-06	cif/ Updating files of 1572322, 1572323, 1572324, 1572325 Original log message: Adding full bibliography for 1572322--1572325.cif.	1572323.cif
294084	2024-08-13	cif/ Adding structures of 1572322, 1572323, 1572324, 1572325 via cif-deposit CGI script.	1572323.cif