Crystallography Open Database

Information card for entry 8102756

Preview

Coordinates	8102756.cif

Structure parameters

Chemical name	(1,10-phenanthroline)-(methanedisulfonato)copper(II) tetrahydrate
Formula	C13 H17 Cu N2 O10 S2
Calculated formula	C13 H16 Cu N2 O10 S2
Title of publication	Crystal structure of diaqua(1,10-phenanthroline)-(methanedisulfonato)copper(II) dihydrate, Cu(H2O)2(C12H8N2)[CH2(SO3)2] · 2H2O
Authors of publication	Wei-Qiu Kan; Ying-Ying Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	3
Pages of publication	489
a	15.8776 ± 0.0007 Å
b	7.0127 ± 0.0003 Å
c	16.4853 ± 0.0007 Å
α	90°
β	92.569 ± 0.004°
γ	90°
Cell volume	1833.71 ± 0.14 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0893
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	0.732
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.	8102756.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102756.cif
13495	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102756 via cif-deposit CGI script.	8102756.cif