Crystallography Open Database

Information card for entry 1572710

Preview

Coordinates	1572710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 Bi2 N8 Ni2 O16
Calculated formula	C96 Bi2 N8 Ni2 O16
Title of publication	Boosting photothermal conversion through array aggregation of metalloporphyrins in bismuth-based coordination frameworks.
Authors of publication	He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	42
Pages of publication	17498 - 17505
a	41.7558 ± 0.0005 Å
b	24.304 ± 0.0003 Å
c	9.2689 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	9406.39 ± 0.19 Å³
Cell temperature	199.99 ± 0.1 K
Ambient diffraction temperature	199.99 ± 0.1 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1856
Weighted residual factors for all reflections included in the refinement	0.192
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
296384 (current)	2024-12-06	cif/ Updating files of 1572709, 1572710 Original log message: Adding full bibliography for 1572709--1572710.cif.	1572710.cif
294926	2024-09-28	cif/ Adding structures of 1572709, 1572710 via cif-deposit CGI script.	1572710.cif