Crystallography Open Database

Information card for entry 4308356

Preview

Coordinates	4308356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H29 Cl2 Co N4 O10
Calculated formula	C19 H29 Cl2 Co N4 O10
Title of publication	Facile C‒H Bond Activation: Synthesis of the N4C Donor Set Pentadentate Ligand 1,4-Bis(2-pyridylmethyl)-1,4-diazacyclononane (dmpdacn) and a Structural Study of Its Alkyl‒Cobalt(III) Complex [Co(dmpdacn-C)(OH2)](ClO4)2·H2O and Its Hydroxylated Derivative [Co(dmpdacnOH-O)Cl](ClO4)2·C3H6O
Authors of publication	Zhou, Xiangting; Day, Anthony I.; Edwards, Alison J.; Willis, Anthony C.; Jackson, W. Gregory
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	452 - 460
a	9.1169 ± 0.0002 Å
b	25.5635 ± 0.0006 Å
c	11.4461 ± 0.0002 Å
α	90°
β	108.463 ± 0.0013°
γ	90°
Cell volume	2530.32 ± 0.09 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for all reflections included in the refinement	0.0386
Goodness-of-fit parameter for all reflections included in the refinement	1.0378
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
210146 (current)	2018-08-26	cif/4/30/ Updating bibliography in entries 4300759-4300760, 4308356-4308357. Marking entries 4300759-4300760 as duplicates of entries 4308356-4308357.	4308356.cif
193981	2017-03-05	cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items.	4308356.cif
193021	2017-03-04	cif/ (antanas@echidna.ibt.lt) Homogenising atom type symbols in order to relate data from different loops in entries 4308356, 7017531, 7213403.	4308356.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308356.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4308356.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308356.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308356.cif
32063	2012-01-26	cif/4 Correction of volume and publication year for files coming from a couple of issues of Inorg. Chem. The mistake was made when fetching bibliography for these entries and detected just now. I have checked that all other Inorg. Chem. files are correct.	4308356.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.	4308356.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308356.cif