Crystallography Open Database

Information card for entry 1570034

Preview

Coordinates	1570034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H54.4 Br1.05 In3.05 N10.67 O13
Calculated formula	C92 H54.4 Br0.05 In3.05 N10.6667 O13
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	57.3644 ± 0.0011 Å
b	57.3644 ± 0.0011 Å
c	57.3644 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	188768 ± 6 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	0.1074
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.2365
Weighted residual factors for all reflections included in the refinement	0.2677
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
286623 (current)	2023-10-02	cif/ Adding structures of 1570034 via cif-deposit CGI script.	1570034.cif