Crystallography Open Database

Information card for entry 1570029

Preview

Coordinates	1570029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H44 Co3 N4.33 O14 S6
Calculated formula	C46.5 H18 Co3 N2.33333 O14 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	44.7671 ± 0.0006 Å
b	44.7671 ± 0.0006 Å
c	44.7671 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	89717 ± 2 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	0.0499
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
286618 (current)	2023-10-02	cif/ Adding structures of 1570029 via cif-deposit CGI script.	1570029.cif