Crystallography Open Database

Information card for entry 7011251

Preview

Coordinates	7011251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 F3 N3 O2 Pd
Calculated formula	C26 H30 F3 N3 O2 Pd
Title of publication	One compound, two structures: synthesis, structures and reactivity of a novel (tripyrrinato)palladium(II) trifluoracetate complex TrpyPdOAcf
Authors of publication	Martin Bröring; Carsten D. Brandt
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	7
Pages of publication	1391 - 1395
a	12.6243 ± 0.0014 Å
b	18.028 ± 0.002 Å
c	11.4931 ± 0.0013 Å
α	90°
β	104.859 ± 0.002°
γ	90°
Cell volume	2528.3 ± 0.5 Å³
Cell temperature	293 ± 2 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	0.0332
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
179816 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/12.	7011251.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011251.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011251.cif
11752	2011-02-18	cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script.	7011251.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011251.cif