Crystallography Open Database

Information card for entry 8102869

Preview

Coordinates	8102869.cif

Structure parameters

Formula	C21 H17 Cl Cu N4 O6
Calculated formula	C21 H17 Cl Cu N4 O6
SMILES	[Cu]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)OC=O.[O-]Cl(=O)(=O)=O
Title of publication	Crystal structure of bis(2,2'-bipyridine)formatocopper(II) tetrachlorate, [Cu(C10H8N2)2(CHO2)][ClO4]
Authors of publication	Qin Huang; Li-Hong Diao; Xian-Hong Yin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	4
Pages of publication	735
a	7.248 ± 0.009 Å
b	10.605 ± 0.013 Å
c	28.22 ± 0.04 Å
α	90°
β	96.732 ± 0.016°
γ	90°
Cell volume	2154 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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.	8102869.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.	8102869.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102869.cif
13608	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102869 via cif-deposit CGI script.	8102869.cif