Crystallography Open Database

Information card for entry 7022986

Preview

Coordinates	7022986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 Dy N5 O19 Sr
Calculated formula	C24 H24 Dy N5 O19 Sr
Title of publication	Seven novel Sr(II)-Sm(III) and Sr(II)-Dy(III) coordination polymers: construction of five classes of structural topologies using different amounts of imidazole.
Authors of publication	Chen, Yanmei; Cao, Yanyuan; Chen, Wenqian; Gao, Qian; Li, Lei; Gao, Dandan; Liu, Wei; Li, Yahong; Li, Wu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	27
Pages of publication	10011 - 10018
a	9.992 ± 0.003 Å
b	10.253 ± 0.003 Å
c	16.044 ± 0.004 Å
α	81.491 ± 0.004°
β	71.916 ± 0.004°
γ	88.873 ± 0.005°
Cell volume	1544.7 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0592
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
179934 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/29.	7022986.cif
132589	2015-03-02	cif/ (antanas@koala.ibt.lt) Multiple CIFs contained incorrect '_refined_diff_density_rms' tag values, consisting of the actual numerical values and a trailing substrings that were accidentaly concatinated to the end of the values. The values were malformed upon deposition due to incorrect comment markup (comments were not prefixed with a '#' symbol). The folllowing command was carried to remove the trailing substrings: find . -name .cif \| xargs perl -0777 -i -pe "s/_refine_diff_density_rms\s\'(\d\.\d)\s.*/_refine_diff_density_rms \1/" After the modifications 'cif_filter' script was used on all affected CIFs and changed values were inspected manually to avoid introduction of new errors (the trailling string might not be an artifact, but a misplaced e.s.d. value or a measurement unit symbol that implies the need of numerical value conversion).	7022986.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 {}'	7022986.cif
90401	2013-11-17	cif/ Adding structures of 7022980, 7022981, 7022982, 7022983, 7022984, 7022985, 7022986 via cif-deposit CGI script.	7022986.cif