Crystallography Open Database

Information card for entry 7247076

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Coordinates	7247076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Br Cl2 N3 Ni
Calculated formula	C21 H20 Br Cl2 N3 Ni
Title of publication	Ni(ii)-catalyzed oxidative deamination of benzyl amines with water
Authors of publication	Pal, Nilay Kumar; Singh, Kuldeep; Patra, Moumita; Yadav, Suman; Pandey, Prabhakar K.; Bera, Jitendra K.
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	16
Pages of publication	6212 - 6217
a	10.0731 ± 0.0002 Å
b	20.1087 ± 0.0005 Å
c	10.8313 ± 0.0003 Å
α	90°
β	105.39 ± 0.001°
γ	90°
Cell volume	2115.28 ± 0.09 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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