Crystallography Open Database

Information card for entry 7122556

Preview

Coordinates	7122556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C170 H176 Li4 N12 O8
Calculated formula	C170 H176 Li4 N12 O8
Title of publication	Synthesis and reactivity of aza-dipyrrin alkali metal salts.
Authors of publication	Diaz-Rodriguez, Roberto M; Robertson, Katherine N.; Thompson, Alison
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	93
Pages of publication	13139 - 13142
a	16.963 ± 0.002 Å
b	17.366 ± 0.002 Å
c	26.321 ± 0.003 Å
α	108.871 ± 0.001°
β	105.372 ± 0.001°
γ	92.009 ± 0.001°
Cell volume	7012.1 ± 1.4 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1945
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.2266
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7122556.html