Crystallography Open Database

Information card for entry 8102303

Preview

Coordinates	8102303.cif

Structure parameters

Formula	C19 H19 Cu N3 O5
Calculated formula	C19 H19 Cu N3 O5
SMILES	[Cu]12(OC(=O)C)(OC(=O)C)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1.O
Title of publication	Crystal structure of (2,2':6',2''-terpyridine)copper(II)diacetate monohydrate, [Cu(C15H11N3)](O2CCH3)2 · H2O
Authors of publication	Cui-Qiao Zhang; Feng Fu; Yi-Xia Ren; Xiao-Ming Gao; Ji-Wu Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	283
a	15.644 ± 0.01 Å
b	44.19 ± 0.03 Å
c	11.027 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	7623 ± 9 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102303.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102303.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102303.cif
13042	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102303 via cif-deposit CGI script.	8102303.cif