Crystallography Open Database

Information card for entry 7239039

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Coordinates	7239039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H48 Cu N6 O8
Calculated formula	C48 H48 Cu N6 O8
Title of publication	A mononuclear copper(ii) complex immobilized in mesoporous silica: an efficient heterogeneous catalyst for the aerobic oxidation of benzylic alcohols
Authors of publication	Samanta, Suvendu; Das, Sudipto; Samanta, Partha Kumar; Dutta, Supriya; Biswas, Papu
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	42
Pages of publication	19455
a	9.95 ± 0.004 Å
b	13.482 ± 0.005 Å
c	17.253 ± 0.006 Å
α	90°
β	105.438 ± 0.009°
γ	90°
Cell volume	2230.9 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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