Crystallography Open Database

Information card for entry 8102479

Preview

Coordinates	8102479.cif

Structure parameters

Chemical name	catena-(<i>μ</i>~2~-sulfato)-diaqua-(1,10-phenanthroline)-copper(II)
Formula	C12 H12 Cu N2 O6 S
Calculated formula	C12 H12 Cu N2 O6 S
Title of publication	Crystal structure of catena-(m2-sulfato)-diaqua-(1,10-phenanthroline)cobalt(II), Co(H2O)2(C12H2N2)SO4 at 106 K and refinement of crystal structure of catena-(m2-sulfato)-diaqua-(1,10-phenanthroline)copper(II), Cu(H2O)2(C12H2N2)SO4 at 106 K
Authors of publication	Christina Dietz; Rüdiger W. Seidel; Iris M. Oppel
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	509
a	14.832 ± 0.001 Å
b	13.791 ± 0.0009 Å
c	6.9914 ± 0.0003 Å
α	90°
β	109.525 ± 0.005°
γ	90°
Cell volume	1347.84 ± 0.15 Å³
Cell temperature	106 ± 2 K
Ambient diffraction temperature	106 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
176728 (current)	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.	8102479.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102479.cif
13218	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102479 via cif-deposit CGI script.	8102479.cif