Crystallography Open Database

Information card for entry 4002680

Preview

Coordinates	4002680.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pan004
Formula	C48 H96 Bi7 I24 Na3 O12
Calculated formula	Bi7 I24 Na3
SMILES	I[Bi](I)(I)([I-])([I-])[I-].[I]1[Bi](I)([I][Bi]([I][Bi](I)([I][Bi]([I][Bi](I)([I][Bi]1(I)I)I)(I)I)I)(I)I)I.[Na+].[Na+].[Na+]
Title of publication	Solution-Processed BiI3Thin Films for Photovoltaic Applications: Improved Carrier Collection via Solvent Annealing
Authors of publication	Hamdeh, Umar H.; Nelson, Rainie D.; Ryan, Bradley J.; Bhattacharjee, Ujjal; Petrich, Jacob W.; Panthani, Matthew G.
Journal of publication	Chemistry of Materials
Year of publication	2016
Journal volume	28
Journal issue	18
Pages of publication	6567
a	27.88 ± 0.003 Å
b	27.88 ± 0.003 Å
c	16.0459 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	10801 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	0.731
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
286259 (current)	2023-09-07	cif/4 Fixing Z values and formulae	4002680.cif
186903	2016-10-04	cif/ Adding structures of 4002680 via cif-deposit CGI script.	4002680.cif