Crystallography Open Database

Information card for entry 1570024

Preview

Coordinates	1570024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.67 H14.86 Br In3 N1.33 O14.43
Calculated formula	C26.6662 H11.9994 Br0.7386 In3 N1.3334 O14.428
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	33.8796 ± 0.0013 Å
b	33.8796 ± 0.0013 Å
c	33.8796 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	38888 ± 3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.0209
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
286613 (current)	2023-10-02	cif/ Adding structures of 1570024 via cif-deposit CGI script.	1570024.cif