Crystallography Open Database

Information card for entry 4320483

4320482 << 4320483 >> 4320484

Preview

Coordinates	4320483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 Cl2 Cu N4 O14
Calculated formula	C32 H34 Cl2 Cu N4 O14
Title of publication	Interconversion of a Monomer and Two Coordination Polymers of a Copper(II)-Reduced Schiff Base Ligand-1,10-Phenanthroline Complex Based on Hydrogen- and Coordinative-Bonding
Authors of publication	Chang Tong Yang; Boujemaa Moubaraki; Keith S. Murray; John D. Ranford; Jagadese Jayapurandara Vittal
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5934 - 5941
a	10.8095 ± 0.0001 Å
b	10.8095 ± 0.0001 Å
c	59.0159 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6895.73 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179307 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/04.	4320483.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.	4320483.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4320483.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320483.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320483.cif
17679	2011-04-09	../uploads/cif-deposit/cod/cif Adding structures of 4320483 via cif-deposit CGI script.	4320483.cif