Crystallography Open Database

Information card for entry 7057518

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Coordinates	7057518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H102 Cu2 N2 O8
Calculated formula	C68 H102 Cu2 N2 O8
Title of publication	Copper (ii) dimers stabilized by bis(phenol) amine ligands: theoretical and experimental insights
Authors of publication	Rajput, Amit; Kumar, Akhilesh; Sengupta, Arunava; Tyagi, Priyanka; Arora, Himanshu
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	15
Pages of publication	12621
a	11.2578 ± 0.0017 Å
b	15.878 ± 0.002 Å
c	37.239 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	6656.5 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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