Crystallography Open Database

Information card for entry 1572870

Preview

Coordinates	1572870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H61 Co N6 O25 S2 Tb
Calculated formula	C54 H61 Co N6 O25 S2 Tb
Title of publication	Visible light mediated photocatalysis by lanthanide metal-organic frameworks: enhanced specificity and mechanistic insights.
Authors of publication	Gupta, Ruchika; Aashish, ?; Upma, ?; Majumdar, Shubhangi; Chowdhury, Pramit K.; Gupta, Rajeev
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	45
Pages of publication	18952 - 18968
a	13.6097 ± 0.0008 Å
b	13.9046 ± 0.0008 Å
c	18.5959 ± 0.0011 Å
α	68.205 ± 0.002°
β	70.537 ± 0.002°
γ	81.543 ± 0.002°
Cell volume	3079.7 ± 0.3 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1682
Weighted residual factors for all reflections included in the refinement	0.1871
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296432 (current)	2024-12-06	cif/ Updating files of 1572870, 1572871 Original log message: Adding full bibliography for 1572870--1572871.cif.	1572870.cif
295480	2024-10-15	cif/ Adding structures of 1572870, 1572871 via cif-deposit CGI script.	1572870.cif