Crystallography Open Database

Information card for entry 4135615

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Coordinates	4135615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H47 O10 P3
Calculated formula	C36 H45 O10 P3
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	11.2203 ± 0.001 Å
b	14.5145 ± 0.0013 Å
c	23.22 ± 0.002 Å
α	90°
β	96.497 ± 0.004°
γ	90°
Cell volume	3757.3 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1015
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.2251
Weighted residual factors for all reflections included in the refinement	0.248
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261480 (current)	2021-02-04	cif/ Adding structures of 4135615 via cif-deposit CGI script.	4135615.cif