Crystallography Open Database

Information card for entry 4509904

Preview

Coordinates	4509904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C133.53 H207.47 N8 O24
Calculated formula	C133.44 H207.36 N8 O24
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	49.7671 ± 0.0012 Å
b	49.7671 ± 0.0012 Å
c	29.6709 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	63642 ± 4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1504
Residual factor for significantly intense reflections	0.0937
Weighted residual factors for significantly intense reflections	0.2465
Weighted residual factors for all reflections included in the refinement	0.3146
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7107 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.	4509904.cif
104118	2014-03-10	cif/ Adding structures of 4509904 via cif-deposit CGI script.	4509904.cif