Crystallography Open Database

Information card for entry 1549124

Preview

Coordinates	1549124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H44 F12 N6 O P2 Ru
Calculated formula	C66 H44 F12 N6 O P2 Ru
Title of publication	Chiral macrocyclic terpyridine complexes.
Authors of publication	Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	15
Pages of publication	3837 - 3843
a	16.392 ± 0.0001 Å
b	16.392 ± 0.0001 Å
c	21.9038 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5885.5 ± 0.07 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228817 (current)	2019-11-17	cif/ Updating files of 1549123, 1549124 Original log message: Adding full bibliography for 1549123--1549124.cif.	1549124.cif
207084	2018-03-24	cif/ Adding structures of 1549123, 1549124 via cif-deposit CGI script.	1549124.cif