Crystallography Open Database

Information card for entry 4508776

Preview

Coordinates	4508776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 Cu N4 O9 S
Calculated formula	C44 H46 Cu N4 O9 S
Title of publication	Ligand and Anion Effects on the Morphology of Aqueous Substructures Entrained within One-Dimensional [CuL4X] Coordination Polymer Matrices (L = 2,4‘-Bipyridine, 4-Phenylpyridine; X = SO42-, SiF62-)
Authors of publication	Springsteen, Caleb H.; Sweeder, Ryan D.; LaDuca, Robert L.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	10
Pages of publication	2308
a	12.796 ± 0.004 Å
b	13.491 ± 0.004 Å
c	14.131 ± 0.004 Å
α	90.636 ± 0.005°
β	108.398 ± 0.005°
γ	116.762 ± 0.005°
Cell volume	2032.7 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.16
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.2111
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179623 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/87.	4508776.cif
96923	2014-01-29	cif/ Adding structures of 4508775, 4508776, 4508777, 4508778 via cif-deposit CGI script.	4508776.cif