Crystallography Open Database

Information card for entry 1570030

Preview

Coordinates	1570030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H34.25 Br1.12 In3.12 N8 O15
Calculated formula	C58 H34.25 Br0.125 In3.125 N8 O15
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	57.312 ± 0.003 Å
b	57.312 ± 0.003 Å
c	57.312 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	188251 ± 17 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	0.115
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for significantly intense reflections	0.2546
Weighted residual factors for all reflections included in the refinement	0.2807
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
286619 (current)	2023-10-02	cif/ Adding structures of 1570030 via cif-deposit CGI script.	1570030.cif