Crystallography Open Database

Information card for entry 7227856

Preview

Coordinates	7227856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H68 Cu4 N O20
Calculated formula	C81 H65 Cu4 N O20
Title of publication	A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties
Authors of publication	Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	15
Pages of publication	2042
a	18.4059 ± 0.0007 Å
b	18.7645 ± 0.0009 Å
c	34.5211 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	11922.8 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1036
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.2268
Weighted residual factors for all reflections included in the refinement	0.2458
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196389 (current)	2017-05-06	cif/ Updating files of 7227853, 7227854, 7227855, 7227856 Original log message: Adding full bibliography for 7227853--7227856.cif.	7227856.cif
194282	2017-03-16	cif/ Adding structures of 7227853, 7227854, 7227855, 7227856 via cif-deposit CGI script.	7227856.cif