Crystallography Open Database

Information card for entry 7002466

Preview

Coordinates	7002466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H60 Ag2 N12 Ni2 O18
Calculated formula	C54 H36 Ag2 N12 Ni2 O18
Title of publication	Enhanced ferromagnetic interaction in metallacyclic complexes incorporating m-phenylenediamidato bridges.
Authors of publication	Palacios, María A.; Rodríguez-Diéguez, Antonio; Sironi, Angelo; Herrera, Juan Manuel; Mota, Antonio J.; Cano, Joan; Colacio, Enrique
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	40
Pages of publication	8538 - 8547
a	18.279 ± 0.004 Å
b	20.892 ± 0.004 Å
c	14.844 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5669 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179724 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/24.	7002466.cif
134573	2015-04-01	cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values.	7002466.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002466.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002466.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7002466.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002466.cif