Crystallography Open Database

Information card for entry 4318340

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Coordinates	4318340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H53 Cl2 F9 N20 Ni5 O12.5 S3
Calculated formula	C64 H50 Cl1.99 F9 N20 Ni5 O12.5 S3
Title of publication	Unsymmetrical Linear Pentanuclear Nickel String Complexes: [Ni5(tpda)4(H2O)(BF4)](BF4)2 and [Ni5(tpda)4(SO3CF3)2](SO3CF3)
Authors of publication	Chen-Yu Yeh; Yi-Li Chiang; Gene-Hsiang Lee; Shie-Ming Peng
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	4096 - 4098
a	42.1894 ± 0.0007 Å
b	17.077 ± 0.0003 Å
c	21.2117 ± 0.0004 Å
α	90°
β	102.569 ± 0.0008°
γ	90°
Cell volume	14916.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1605
Residual factor for significantly intense reflections	0.1065
Weighted residual factors for significantly intense reflections	0.2781
Weighted residual factors for all reflections included in the refinement	0.3338
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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