Crystallography Open Database

Information card for entry 1520104

1520103 << 1520104 >> 1520105

Preview

Coordinates	1520104.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CuNPy3NO3
Formula	C33 H24 Cu N5 O3
Calculated formula	C33 H24 Cu N5 O3
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	0.0727
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
161743 (current)	2015-10-09	cif/ Updating files of 1520101, 1520102, 1520103, 1520104 Original log message: Adding full bibliography for 1520101--1520104.cif.	1520104.cif
137524	2015-05-29	cif/ Adding structures of 1520101, 1520102, 1520103, 1520104 via cif-deposit CGI script.	1520104.cif