Crystallography Open Database

Information card for entry 7703670

Preview

Coordinates	7703670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 Bi3 I9 O8 S8
Calculated formula	C16 H36 Bi3 I9 O8 S8
SMILES	[Bi]12(I)(I)(I)[I][Bi]([I]1)([I]2)(I)(I)I.[Bi]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C
Title of publication	Non-transient thermo-/photochromism of iodobismuthate hybrids directed by solvated metal cations.
Authors of publication	Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	6
Pages of publication	1847 - 1853
a	11.958 ± 0.003 Å
b	15.817 ± 0.004 Å
c	16.28 ± 0.005 Å
α	82.222 ± 0.006°
β	69.979 ± 0.006°
γ	78.914 ± 0.006°
Cell volume	2831 ± 1.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 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	0.2368
Residual factor for significantly intense reflections	0.1541
Weighted residual factors for significantly intense reflections	0.3401
Weighted residual factors for all reflections included in the refinement	0.3981
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
248773 (current)	2020-03-04	cif/ Adding structures of 7703670, 7703671 via cif-deposit CGI script.	7703670.cif