Crystallography Open Database

Information card for entry 2106491

Preview

Coordinates	2106491.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ca K (Co (S2 C2 O2)3) (H2 O)4
Formula	C6 H8 Ca Co K O10 S6
Calculated formula	C6 H8 Ca Co K O10 S6
Title of publication	The crystal structure of calcium potassium(+)589-tris(dithiooxalato)cob altate(III) tetrahydrate: an application of anomalous dispersion patterson methods
Authors of publication	Butler, K. R.; Snow, M. R.
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1975
Journal volume	31
Journal issue	2
Pages of publication	354 - 358
a	12.381 Å
b	12.791 Å
c	11.801 Å
α	90°
β	90°
γ	90°
Cell volume	1868.87 Å³
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
189124 (current)	2016-12-14	cif/2 (antanas@echidna.ibt.lt) Marking attached hydrogen atoms.	2106491.cif
189100	2016-12-13	cif/2/10/64/ (antanas@echidna.ibt.lt) Changing the x coordinate of atom 'O4' from '0.16' to '0.016' after consulting the original publication. It should be noted that the erronious '0.16' coordinate value is also given in the paper, however, the bond length between the 'O4' and 'C4' atoms that is provided in the paper (1.228 A) does not match the one calculated from the coordinates. The bond length calculated with the x coordinate changed matches the one provided in the original publication.	2106491.cif
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	2106491.cif
150553	2015-07-13	cif/ Adding structures of 2106491 via cif-deposit CGI script.	2106491.cif