Crystallography Open Database

Information card for entry 8103188

Preview

Coordinates	8103188.cif

Structure parameters

Chemical name	mono(1-(4-carboxyphenyl)-5-mercapto-1H-tetrazole)-bis(1,10-phenanthroline) copper(II) tetrachlorate— methanol(1:1.5)[Cu(C~8~H~5~N~4~O~2~S)(C~12~H~8~N~2~)~2~]][ClO~4~].1.5CH~3~OH
Formula	C33.5 H27 Cl Cu N8 O7.5 S
Calculated formula	C33.5 H27 Cl Cu N8 O7.5 S
Title of publication	Crystal structure of [1-(4-carboxyphenyl)-5-mercapto-1H-tetrazole]-bis(1,10-phenanthroline)copper(II) perchlorate — methanol (1:1.5), [Cu(C8H5N4O2S)(C12H8N2)2][ClO4] • 1.5CH3OH
Authors of publication	Jing Feng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	491
a	9.4707 ± 0.0008 Å
b	12.4239 ± 0.0008 Å
c	16.9518 ± 0.0011 Å
α	97.342 ± 0.005°
β	103.227 ± 0.006°
γ	110.257 ± 0.007°
Cell volume	1774.2 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103188.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103188.cif
32531	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103188 via cif-deposit CGI script.	8103188.cif