Crystallography Open Database

Information card for entry 7059546

Preview

Coordinates	7059546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H18 N6 O14 Tb2
Calculated formula	C33 H18 N6 O14 Tb2
Title of publication	Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2
Authors of publication	Dhankhar, Sandeep Singh; Nagaraja, C. M.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	21
Pages of publication	9090 - 9096
a	9.5266 ± 0.0014 Å
b	11.5135 ± 0.0018 Å
c	11.6248 ± 0.0016 Å
α	85.994 ± 0.004°
β	70.409 ± 0.004°
γ	78.478 ± 0.005°
Cell volume	1177 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0177
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0537
Weighted residual factors for all reflections included in the refinement	0.054
Goodness-of-fit parameter for all reflections included in the refinement	0.708
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7059546.html