Crystallography Open Database

Information card for entry 4323133

Preview

Coordinates	4323133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Co2 H8 O11 P2
Calculated formula	Co2 O11 P2
Title of publication	Syntheses, Structures, and Magnetic Properties of Metal(II) Phosphates with M(OH)(PO4)2- Layers (M = Ni, Co, Mg)
Authors of publication	Nobuaki Hamanaka; Hideo Imoto
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	5844 - 5850
a	8.443 ± 0.002 Å
b	13.094 ± 0.004 Å
c	15.484 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1711.8 ± 0.8 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for all reflections	0.0807
Weighted residual factors for significantly intense reflections	0.0745
Goodness-of-fit parameter for all reflections	1.251
Goodness-of-fit parameter for significantly intense reflections	1.409
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4323133.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4323133.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 {}'	4323133.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323133.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323133.cif
22095	2011-07-02	../uploads/cif-deposit/cod/cif Adding structures of 4323133 via cif-deposit CGI script.	4323133.cif