Crystallography Open Database

Information card for entry 2204550

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Structure parameters

Chemical name	(meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane- κ^4^N)nickel(II) [N,N-o-phenylenebis(oxamato)-κ^4^O,N,N',O']cuprate(II) dihydrate
Formula	C26 H44 Cu N6 Ni O8
Calculated formula	C26 H43 Cu N6 Ni O8
Title of publication	(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II) [<i>N</i>,<i>N</i>-<i>o</i>-phenylenebis(oxamato)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']cuprate(II) dihydrate
Authors of publication	Gao, En-Qing
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	m1700 - m1702
a	10.0629 ± 0.0008 Å
b	12.402 ± 0.0008 Å
c	12.863 ± 0.0008 Å
α	92.241 ± 0.005°
β	110.245 ± 0.005°
γ	99.343 ± 0.007°
Cell volume	1478.26 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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