Crystallography Open Database

Information card for entry 8102597

Preview

Coordinates	8102597.cif

Structure parameters

Chemical name	[(1,10-phenanthroline)-dysprosium(II) -(1,4-benzenediacrylato)-(1-benzenediacrylato-4-carboxylic acid)] 0.25hydrate, [Dy(C~12~H~8~O~4~)(C~12~H~9~O~4~)(C~12~H~8~N~2~)]
Formula	C36 H25.5 Dy N2 O8.25
Calculated formula	C36 H25 Dy N2 O8.25
Title of publication	Crystal structure of (1,10-phenanthroline)-(1,4-benzenediacrylato)-(hydrogen 1,4-benzenediacrylato)-dysprosium(II) hydrate, Dy(C12H8O4)(C12H9O4)(C12H8N2) · 0.25H2O
Authors of publication	Jin Yang; Ying-Ying Liu; Jian-Fang Ma
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	54
a	9.774 ± 0.005 Å
b	12.426 ± 0.005 Å
c	13.559 ± 0.005 Å
α	73.837 ± 0.005°
β	84.277 ± 0.005°
γ	78.843 ± 0.005°
Cell volume	1549.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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.	8102597.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102597.cif
13336	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102597 via cif-deposit CGI script.	8102597.cif