Crystallography Open Database

Information card for entry 7246379

Preview

Coordinates	7246379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H41 N5 O16 Zn3
Calculated formula	C64 H41 N5 O16 Zn3
Title of publication	Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms
Authors of publication	Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	14
Pages of publication	2085 - 2095
a	31.752 ± 0.002 Å
b	17.8208 ± 0.0005 Å
c	19.1271 ± 0.0008 Å
α	90°
β	105.392 ± 0.006°
γ	90°
Cell volume	10434.8 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2076
Residual factor for significantly intense reflections	0.1563
Weighted residual factors for significantly intense reflections	0.429
Weighted residual factors for all reflections included in the refinement	0.4615
Goodness-of-fit parameter for all reflections included in the refinement	1.467
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282339 (current)	2023-04-04	cif/ Updating files of 7246378, 7246379, 7246380 Original log message: Adding full bibliography for 7246378--7246380.cif.	7246379.cif
281293	2023-03-04	cif/ Adding structures of 7246378, 7246379, 7246380 via cif-deposit CGI script.	7246379.cif