Crystallography Open Database

Information card for entry 1570023

Preview

Coordinates	1570023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H13 Cl In3 N2 O14.5
Calculated formula	C24 H10 Cl In3 N2 O14.5
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	33.748 ± 0.0005 Å
b	33.748 ± 0.0005 Å
c	33.748 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	38436.5 ± 1 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	0.0427
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
286612 (current)	2023-10-02	cif/ Adding structures of 1570023 via cif-deposit CGI script.	1570023.cif