Crystallography Open Database

Information card for entry 4503698

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Structure parameters

Formula	C24 H68 Cl4 Cu2 N12 O16
Calculated formula	C24 H68 Cl4 Cu2 N12 O16
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	9.65 ± 0.0002 Å
b	17.601 ± 0.0003 Å
c	12.991 ± 0.0003 Å
α	90°
β	97.822 ± 0.001°
γ	90°
Cell volume	2185.99 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0446
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
301842 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure.	4503698.cif
179571	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.	4503698.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503698.cif
41718	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503698 via cif-deposit CGI script.	4503698.cif