Crystallography Open Database

Information card for entry 2242239

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Structure parameters

Common name	CuTMPEN
Chemical name	{<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine-κ^6^<i>N</i>}copper(II) bis(tetrafluoridoborate)
Formula	C30 H36 B2 Cu F8 N6
Calculated formula	C30 H36 B2 Cu F8 N6
Title of publication	Crystal structure of [Cu(tmpen)](BF~4~)~2~ {tmpen is <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}
Authors of publication	Chen, Lin; Guo, Yakun; Ren, Gan; Sang, Ge
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	4
Pages of publication	640 - 643
a	18.67 ± 0.002 Å
b	12.8309 ± 0.0015 Å
c	14.0146 ± 0.0016 Å
α	90°
β	107.193 ± 0.002°
γ	90°
Cell volume	3207.2 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2242239.cif 2242239.hkl
199200	2017-07-25	cif/ hkl/ Adding structures of 2242239 via cif-deposit CGI script.	2242239.cif 2242239.hkl