Crystallography Open Database

Information card for entry 7705530

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Coordinates	7705530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H7 N2 Ni0.5
Calculated formula	C10 H7 N2 Ni0.5
Title of publication	Synthesis and electron-transport properties of a stable antiaromatic Ni<sup>II</sup> norcorrole with the smallest <i>meso</i>-substituent.
Authors of publication	Ukai, Shusaku; Koo, Yun Hee; Fukui, Norihito; Seki, Shu; Shinokubo, Hiroshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	41
Pages of publication	14383 - 14387
a	19.3223 ± 0.0007 Å
b	4.6693 ± 0.0001 Å
c	17.6807 ± 0.0006 Å
α	90°
β	112.336 ± 0.004°
γ	90°
Cell volume	1475.5 ± 0.09 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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