Crystallography Open Database

Information card for entry 4309868

Preview

Coordinates	4309868.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper Complex, Hydrated Phase
Chemical name	pentranitrato-opytrizediam-tricopper(ii) nitrate monohydrate
Formula	C48 H40 Cu3 N26 O19
Calculated formula	C48 H38 Cu3 N26 O19
Title of publication	Moisture-Triggered 1,3,5-Triazine-Based CuII Molecular Switch: a Combined X-ray Single-Crystal and Powder Diffraction Study
Authors of publication	Hélène Casellas; Patrick Gamez; Jan Reedijk; Ilpo Mutikainen; Urho Turpeinen; Norberto Masciocchi; Simona Galli; Angelo Sironi
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7918 - 7924
a	16.63451 ± 0.00058 Å
b	20.83709 ± 0.00082 Å
c	19.12837 ± 0.00095 Å
α	90°
β	116.124 ± 0.0028°
γ	90°
Cell volume	5952.9 ± 0.5 Å³
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179136 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/98.	4309868.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309868.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).	4309868.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)	4309868.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309868.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309868.cif