Crystallography Open Database

Information card for entry 7243123

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Coordinates	7243123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N O5
Calculated formula	C24 H27 N O5
Title of publication	Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation
Authors of publication	Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	37
Pages of publication	22849 - 22858
a	9.2258 ± 0.0011 Å
b	15.495 ± 0.002 Å
c	15.6334 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2234.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0492
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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