Crystallography Open Database

Information card for entry 4307175

Preview

Coordinates	4307175.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetra-(mu4-adipato,O,O',O'',O''')-dodeca(1,10phenanthroline)- -octacopper(II) octa(tetrafluoroborate) dihydrated
Formula	C168 H132 B8 Cu8 F32 N24 O18
Calculated formula	C168 H128 B8 Cu8 F32 N24 O18
Title of publication	Syntheses, Crystal Structures, and Magnetic Properties of Metal-Organic Hybrid Materials of Cu(II): Effect of a Long Chain Dicarboxylate Backbone, and Counteranion in Their Structural Diversity
Authors of publication	A. K. Ghosh; D. Ghoshal; E. Zangrando; J. Ribas; N. Ray Chaudhuri
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3057 - 3071
a	19.313 ± 0.004 Å
b	12.849 ± 0.004 Å
c	34.762 ± 0.006 Å
α	90°
β	90.94 ± 0.02°
γ	90°
Cell volume	8625 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1429
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.2
Weighted residual factors for all reflections included in the refinement	0.2317
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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
179109 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/71.	4307175.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307175.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307175.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307175.cif