Crystallography Open Database

Information card for entry 7053762

Preview

Coordinates	7053762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H19 Co N O13 P2
Calculated formula	C4 H19 Co N O13 P2
SMILES	[Co]123([OH2])(OC(=O)C[N]2(CP(=O)(O1)O)CP(=O)(O3)O)[OH2].[OH3+].O.O
Title of publication	Solvothermal syntheses, characterizations and properties of three transition metal (Ni(ii), Co(ii)) imino-carboxylate-diphosphonates
Authors of publication	Ma, Kuirong; Xu, Jianing; Zhang, Lirong; Shi, Jing; Zhang, Daojun; Zhu, Yulan; Fan, Yong; Song, Tianyong
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	4
Pages of publication	886
a	9.3817 ± 0.0019 Å
b	9.3988 ± 0.0019 Å
c	9.776 ± 0.002 Å
α	82.84 ± 0.03°
β	62.55 ± 0.03°
γ	76.32 ± 0.03°
Cell volume	743.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0342
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7053762.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 {}'	7053762.cif
96612	2014-01-29	cif/ Adding structures of 7053762, 7053763, 7053764 via cif-deposit CGI script.	7053762.cif