Crystallography Open Database

Information card for entry 7007876

Preview

Coordinates	7007876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H39 Cl3 N12 Ni3 O9 S4
Calculated formula	C35.5 H39 Cl3 N12 Ni3 O9 S4
Title of publication	Control of magnetic spin states by various mixed anionic ligands in trinickel complexes: synthesis, crystal structures and physical properties.
Authors of publication	Huang, Ming-Yi; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	48
Pages of publication	5683 - 5690
a	15.804 ± 0.0007 Å
b	17.4684 ± 0.0008 Å
c	19.0282 ± 0.0009 Å
α	70.131 ± 0.001°
β	67.748 ± 0.001°
γ	87.126 ± 0.001°
Cell volume	4553.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1633
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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