Crystallography Open Database

Information card for entry 7114929

Preview

Coordinates	7114929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H114 F9 N9 O6 Pd3
Calculated formula	C90 H114 F9 N9 O6 Pd3
Title of publication	Tripyrrin—the missing link in the series of oligopyrrolic ligands
Authors of publication	Bröring, Martin; D. Brandt, Carsten
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	5
Pages of publication	499
a	13.168 ± 0.003 Å
b	17.773 ± 0.004 Å
c	20.929 ± 0.004 Å
α	73.83 ± 0.03°
β	75.37 ± 0.03°
γ	75.49 ± 0.03°
Cell volume	4465.4 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	0.899
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
180263 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/49.	7114929.cif
118426	2014-06-30	cif/ Adding structures of 7114929 via cif-deposit CGI script.	7114929.cif