Crystallography Open Database

Information card for entry 7131357

Preview

Coordinates	7131357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H108 Bi2 Cl9 N3
Calculated formula	C48 H108 Bi2 Cl9 N3
SMILES	[Bi]12(Cl)(Cl)(Cl)[Cl][Bi]([Cl]1)([Cl]2)(Cl)(Cl)Cl.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
Title of publication	Photophysical properties of tetrabutylammonium metal chlorides with different inorganic frameworks.
Authors of publication	Hu, Qichuan; Liu, Jing; Yu, Hailong; Xu, Hanqi; Yu, Jinyang; Wu, Wenzhi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	25
Pages of publication	3763 - 3766
a	11.3458 ± 0.0011 Å
b	22.317 ± 0.002 Å
c	28.552 ± 0.003 Å
α	90°
β	96.561 ± 0.002°
γ	90°
Cell volume	7182.1 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2127
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
283059 (current)	2023-05-05	cif/ Updating files of 7131357, 7131358, 7131359 Original log message: Adding full bibliography for 7131357--7131359.cif.	7131357.cif
281224	2023-03-02	cif/ Adding structures of 7131357, 7131358, 7131359 via cif-deposit CGI script.	7131357.cif