Crystallography Open Database

Information card for entry 7035067

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Coordinates	7035067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H120 Cl2 Cu N2 O22
Calculated formula	C94 H120 Cl2 Cu N2 O22
Title of publication	Methylresorcinarene: a reaction vessel to control the coordination geometry of copper(ii) in pyridine N-oxide copper(ii) complexes.
Authors of publication	Beyeh, Ngong Kodiah; Puttreddy, Rakesh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	21
Pages of publication	9881 - 9886
a	12.163 ± 0.002 Å
b	12.63 ± 0.003 Å
c	16.953 ± 0.003 Å
α	105.26 ± 0.03°
β	101.94 ± 0.03°
γ	97.56 ± 0.03°
Cell volume	2409.9 ± 1 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.1283
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.1979
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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