Crystallography Open Database

Information card for entry 1572709

Preview

Coordinates	1572709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H49 Bi2 Co2 N8 O16
Calculated formula	C96 H50 Bi2 Co2 N8 O18
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	41.3673 ± 0.0006 Å
b	24.2477 ± 0.0003 Å
c	9.2397 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9268 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0637
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1525
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	1572709.cif
294926	2024-09-28	cif/ Adding structures of 1572709, 1572710 via cif-deposit CGI script.	1572709.cif