Crystallography Open Database

Information card for entry 7220608

7220607 << 7220608 >> 7220609

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Coordinates	7220608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H60 Ni6 S12
Calculated formula	C28 H60 Ni6 S12
Title of publication	Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges
Authors of publication	Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	27
Pages of publication	5110
a	15.028 ± 0.017 Å
b	23.16 ± 0.02 Å
c	13.417 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	4670 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.103
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1878
Weighted residual factors for all reflections included in the refinement	0.21
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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