Crystallography Open Database

Information card for entry 4317079

Preview

Coordinates	4317079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 Cu3 N20 O
Calculated formula	C6 H14 Cu3 N20 O
Title of publication	A Series of CuII-Azide Polymers of Cu6 Building Units and the Role of Chelating Diamine in Controlling their Dimensionality: Synthesis, Structures, and Magnetic Behavior
Authors of publication	Sandip Mukherjee; Partha Sarathi Mukherjee
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	10658 - 10667
a	8.501 ± 0.0003 Å
b	12.9761 ± 0.0004 Å
c	16.8519 ± 0.0005 Å
α	90°
β	97.538 ± 0.002°
γ	90°
Cell volume	1842.87 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
179250 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/70.	4317079.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4317079.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317079.cif
10591	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4317079 via cif-deposit CGI script.	4317079.cif