Crystallography Open Database

Information card for entry 1570028

Preview

Coordinates	1570028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H49.33 Co3 N6 O14.67 S6
Calculated formula	C52.3325 H21.9998 Co3 N4 O14.6666 S6
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	45.13 ± 0.003 Å
b	45.13 ± 0.003 Å
c	45.13 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	91917 ± 11 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	0.1267
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.2567
Weighted residual factors for all reflections included in the refinement	0.2908
Goodness-of-fit parameter for all reflections included in the refinement	1.267
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
286617 (current)	2023-10-02	cif/ Adding structures of 1570028 via cif-deposit CGI script.	1570028.cif