Crystallography Open Database

Information card for entry 4508738

Preview

Coordinates	4508738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H57 Cl12 N4 O8 P
Calculated formula	C65 H57 Cl12 N4 O8 P
Title of publication	Supramolecular Solid-State Interactions between Helicene-like Terpyridinium Cation and Tris(tetrachloro-benzenediolato)phosphate(V) (TRISPHAT) Anion
Authors of publication	Sénéchal-David, Katell; Toupet, Loïc; Maury, Olivier; Le Bozec, Hubert
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	6
Pages of publication	1493
a	11.025 ± 0.0001 Å
b	25.8624 ± 0.0004 Å
c	24.504 ± 0.0004 Å
α	90°
β	99.042 ± 0.001°
γ	90°
Cell volume	6900.07 ± 0.17 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1432
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.2228
Weighted residual factors for all reflections included in the refinement	0.2571
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4508738.html