Crystallography Open Database

Information card for entry 7049991

Preview

Coordinates	7049991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109.5 H87 Cl11 F6 N20 Ni5 O8 P S4
Calculated formula	C109.5 H87 Cl11 F6 N20 Ni5 O8 P S4
Title of publication	Ligand Effects on the Structure, Mixed-valence Sites and Magnetic Properties of Novel Pentanickel String Complexes
Authors of publication	Chiu, Cheng-Chang; Lee, Gene-Hsiang; Lin, Tien-Sung; Peng, Shie-Ming
Journal of publication	Dalton Transactions
Year of publication	2019
a	16.422 ± 0.0007 Å
b	16.8719 ± 0.0008 Å
c	22.4552 ± 0.001 Å
α	73.637 ± 0.0014°
β	76.3465 ± 0.0016°
γ	76.099 ± 0.0018°
Cell volume	5699.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1867
Weighted residual factors for all reflections included in the refinement	0.2046
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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