Crystallography Open Database

Information card for entry 4512656

Preview

Coordinates	4512656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 Cu N5 O4
Calculated formula	C14 H17 Cu N5 O4
Title of publication	N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket
Authors of publication	Ferguson, Jayne L.; Fitchett, Christopher M.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	3
Pages of publication	1280
a	9.3775 ± 0.0006 Å
b	9.6247 ± 0.0006 Å
c	10.3197 ± 0.0006 Å
α	75.145 ± 0.004°
β	63.674 ± 0.003°
γ	79.154 ± 0.004°
Cell volume	803.92 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
179674 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/26.	4512656.cif
134742	2015-04-04	cif/ Updating files of 4512656, 4512657, 4512658, 4512659, 4512660, 4512661, 4512662, 4512663, 4512664, 4512665 Original log message: Adding full bibliography for 4512656--4512665.cif.	4512656.cif
131281	2015-02-07	cif/ Adding structures of 4512656, 4512657, 4512658, 4512659, 4512660, 4512661, 4512662, 4512663, 4512664, 4512665 via cif-deposit CGI script.	4512656.cif