Crystallography Open Database

Information card for entry 1520103

1520102 << 1520103 >> 1520104

Preview

Coordinates	1520103.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CuNPy3NO3
Formula	C34.5 H24 Cu N5.5 O5.62
Calculated formula	C34.5 H24 Cu N5.5 O5.625
Title of publication	Facile redox state manipulation in Cu(i) frameworks by utilisation of the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand.
Authors of publication	Hua, Carol; Turner, Peter; D'Alessandro, Deanna M
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	34
Pages of publication	15297 - 15303
a	9.077 ± 0.0016 Å
b	13.831 ± 0.002 Å
c	32.773 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4114.5 ± 1.2 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
Space group number	17
Hermann-Mauguin space group symbol	P 2 2 21
Hall space group symbol	P 2c 2
Residual factor for all reflections	0.129
Residual factor for significantly intense reflections	0.1071
Weighted residual factors for significantly intense reflections	0.3008
Weighted residual factors for all reflections included in the refinement	0.3179
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1520103.cif
161743	2015-10-09	cif/ Updating files of 1520101, 1520102, 1520103, 1520104 Original log message: Adding full bibliography for 1520101--1520104.cif.	1520103.cif
137524	2015-05-29	cif/ Adding structures of 1520101, 1520102, 1520103, 1520104 via cif-deposit CGI script.	1520103.cif