Crystallography Open Database

Information card for entry 7009690

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Coordinates	7009690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	?
Calculated formula	C42 H52 N2 Ni0.5 O2 S2
Title of publication	CH/π interaction in nickel(II) complexes derived from 2-substituted benzothiazolines
Authors of publication	Kawamoto, Tatsuya; Kushi, Yoshihiko
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	17
Pages of publication	3022
a	12.724 ± 0.007 Å
b	21.161 ± 0.01 Å
c	15.295 ± 0.011 Å
α	90°
β	108.7 ± 0.05°
γ	90°
Cell volume	3901 ± 4 Å³
Cell temperature	298 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.065
Goodness-of-fit parameter for significantly intense reflections	3.37
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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