Crystallography Open Database

Information card for entry 1570032

Preview

Coordinates	1570032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H48.8 Br In3 N8.67 O13.4
Calculated formula	C82 H48 Br0.6 In3 N8.66667 O13.4
Title of publication	Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents
Authors of publication	Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed
Journal of publication	Nature Synthesis
Year of publication	2023
Pages of publication	1
a	56.942 ± 0.001 Å
b	56.942 ± 0.001 Å
c	56.942 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	184628 ± 6 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286621 (current)	2023-10-02	cif/ Adding structures of 1570032 via cif-deposit CGI script.	1570032.cif