Crystallography Open Database

Information card for entry 4308440

Preview

Coordinates	4308440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.75 H54.5 B Cl0.5 F5 N6 Ni S
Calculated formula	C36.75 B Cl0.5 F5 N6 Ni S
Title of publication	Structural and Spectroscopic Characterization of First-Row Transition Metal(II) Substituted Blue Copper Model Complexes with Hydrotris(pyrazolyl)borate+
Authors of publication	Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Miyashita, Yoshitaro; Okamoto, Ken-ichi
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	325 - 335
a	9.417 ± 0.002 Å
b	17.684 ± 0.005 Å
c	27.748 ± 0.008 Å
α	79.623 ± 0.008°
β	80.841 ± 0.009°
γ	68.873 ± 0.007°
Cell volume	4217.4 ± 1.9 Å³
Cell temperature	184.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	2.553
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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