Crystallography Open Database

Information card for entry 4509903

Preview

Coordinates	4509903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H80 N4 O12
Calculated formula	C46 H80 N4 O12
Title of publication	Hosting Various Guests Including Fullerenes and Free Radicals in Versatile Organic ParamagneticbTbkOpen Frameworks
Authors of publication	Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Hardy, Micaël; Rizzato, Egon; Monnier, Valérie; Zaman, Md. Badruz; Chan, Gordon; Udachin, Konstantin; Enright, Gary; Tordo, Paul; Ouari, Olivier
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	467
a	18.8141 ± 0.0005 Å
b	16.8612 ± 0.0003 Å
c	16.0353 ± 0.0003 Å
α	90°
β	94.892 ± 0.001°
γ	90°
Cell volume	5068.32 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1418
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509903.cif
104117	2014-03-10	cif/ Adding structures of 4509903 via cif-deposit CGI script.	4509903.cif