Crystallography Open Database

Information card for entry 4503699

Preview

Coordinates	4503699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H72 Cl4 Cu2 N12 O18
Calculated formula	C24 H72 Cl4 Cu2 N12 O18
Title of publication	Structural Interconversion Controlled by Hydrogen-Bond Interactions: A Mononuclear Copper Triamine Complex and a Polynuclear Copper Triamine Sheet
Authors of publication	Lee, Way-Zen; Kang, Ya-Lin; Wang, Tzu-Li; Su, Chan-Cheng; Kuo, Ting-Shen
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	8
Pages of publication	2614
a	15.061 ± 0.003 Å
b	10.06 ± 0.0014 Å
c	16.569 ± 0.004 Å
α	90°
β	110.809 ± 0.016°
γ	90°
Cell volume	2346.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1351
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1786
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	Mokα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179571 (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 4/50/36.	4503699.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503699.cif
41719	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503699 via cif-deposit CGI script.	4503699.cif