Crystallography Open Database

Information card for entry 1566240

Preview

Coordinates	1566240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C254 H244 Bi38 N11 O149 Ti6
Calculated formula	C205 H126 Bi38 O134 Ti6
Title of publication	Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2
Authors of publication	Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian
Journal of publication	Chemical Science
Year of publication	2022
a	23.6421 ± 0.0002 Å
b	23.8375 ± 0.0002 Å
c	38.8128 ± 0.0003 Å
α	107.572 ± 0.001°
β	91.111 ± 0.001°
γ	114.493 ± 0.001°
Cell volume	18711.2 ± 0.3 Å³
Cell temperature	100.4 ± 0.7 K
Ambient diffraction temperature	100.4 ± 0.7 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	0.0602
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272400 (current)	2022-02-02	cif/ Adding structures of 1566240, 1566241, 1566242, 1566243, 1566244, 1566245, 1566246 via cif-deposit CGI script.	1566240.cif