Crystallography Open Database

Information card for entry 1565434

Preview

Coordinates	1565434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 Bi Fe3
Calculated formula	C30 H27 Bi Fe3
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)[Bi]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
Title of publication	Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures
Authors of publication	Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	502
Pages of publication	119353
a	19.145 ± 0.001 Å
b	19.145 ± 0.001 Å
c	12.039 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	3821.5 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270927 (current)	2021-11-30	cif/ Adding structures of 1565434 via cif-deposit CGI script.	1565434.cif