Crystallography Open Database

Information card for entry 4135613

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Coordinates	4135613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 O20 P3 Y
Calculated formula	C24 H18 O11.5 P3 Y
Title of publication	Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework.
Authors of publication	Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida
Journal of publication	Journal of the American Chemical Society
Year of publication	2021
Journal volume	143
Journal issue	3
Pages of publication	1365 - 1376
a	9.835 ± 0.003 Å
b	16.634 ± 0.005 Å
c	23.5 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	3844 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.2143
Residual factor for significantly intense reflections	0.1168
Weighted residual factors for significantly intense reflections	0.2742
Weighted residual factors for all reflections included in the refinement	0.3244
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261478 (current)	2021-02-04	cif/ Adding structures of 4135613 via cif-deposit CGI script.	4135613.cif