Crystallography Open Database

Information card for entry 1550806

Preview

Coordinates	1550806.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sbe1-01-05
Formula	C110 H128 Cu F6 N12 O2 Sb
Calculated formula	C110 H128 Cu F6 N12 O2 Sb
Title of publication	A bio-inspired imidazole-functionalised copper cage complex
Authors of publication	Bete, Sarah C.; Würtele, Christian; Otte, Matthias
Journal of publication	Chemical Communications
Year of publication	2019
Journal volume	55
Journal issue	30
Pages of publication	4427 - 4430
a	15.9483 ± 0.0012 Å
b	18.9098 ± 0.0017 Å
c	20.1274 ± 0.0015 Å
α	93.485 ± 0.002°
β	110.627 ± 0.003°
γ	109.075 ± 0.002°
Cell volume	5261.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.112
Residual factor for significantly intense reflections	0.086
Weighted residual factors for significantly intense reflections	0.2108
Weighted residual factors for all reflections included in the refinement	0.2336
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1550806.cif
214383	2019-03-28	cif/ Adding structures of 1550805, 1550806 via cif-deposit CGI script.	1550806.cif