Crystallography Open Database

Information card for entry 7016366

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Coordinates	7016366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 B F4 N5 Ni
Calculated formula	C42 H40 B F4 N5 Ni
Title of publication	Neutral and cationic chiral NCN pincer nickel(ii) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization.
Authors of publication	Shao, Dan-Dan; Niu, Jun-Long; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	35
Pages of publication	9012 - 9019
a	11.0806 ± 0.0002 Å
b	12.41579 ± 0.00019 Å
c	13.7889 ± 0.0003 Å
α	90°
β	101.405 ± 0.0018°
γ	90°
Cell volume	1859.54 ± 0.06 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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