Crystallography Open Database

Information card for entry 4310465

Preview

Coordinates	4310465.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ni(4-pymo)2(H2O)4
Formula	C8 H14 N4 Ni O6
Calculated formula	C8 H6 N4 Ni O6
Title of publication	Coordination Frameworks Containing the Pyrimidin-4-olate Ligand. Synthesis, Thermal, Magnetic, and ab Initio XRPD Structural Characterization of Nickel and Zinc Derivatives
Authors of publication	Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	473 - 481
a	13.42758 ± 0.00042 Å
b	12.90329 ± 0.00045 Å
c	6.75501 ± 0.00019 Å
α	90°
β	90°
γ	90°
Cell volume	1170.37 ± 0.06 Å³
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	4310465.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310465.cif
77877	2013-03-29	cod/ (saulius@koala.ibt.lt) Removing mineral names from those crystal structures that do not actually describe minerals (e.g. synthetic entries; data source: file COD-minerals.xlsx from my 2012-08-24 15:47 e-mail).	4310465.cif
77586	2013-03-28	cod/cif/ (saulius@koala.ibt.lt) Merging mineral data updates (_chemical_name_mineral, _chemical_name_common, structural formulae) sent to me by T.D. in his e-mail. The merge was done by the command: for i in split/*.cif do ( B=$(basename $i); C=$(echo $B\|awk '{print "/home/saulius/struct/cod/cif/"substr($0,1,1)"/"substr($0,2,2)"/"substr($0,4,2)"/"$0}'); ( set -x; cif_merge --over \ _chemical_name_mineral,_chemical_name_structure_type,_chemical_name_common,_chemical_name_systematic,_chemical_formula_structural,_chemical_formula_sum \ $C $i ) \ \| cif_filter --add-cif-header $C \ \| sponge $C ) done in the working copy of the following repository: URL: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction/contributions Repository Root: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction Repository UUID: 9acf3947-1f02-0410-ae2a-984b57ad209b Revision: 2625 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 2625 Last Changed Date: 2013-03-28 15:13:00 +0200 (Thu, 28 Mar 2013)	4310465.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310465.cif
1953	2010-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4310465 via cif-deposit CGI script.	4310465.cif