Crystallography Open Database

Information card for entry 4501991

4501990 << 4501991 >> 4501992

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Coordinates	4501991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H88 N2 Ni2 O12 S20
Calculated formula	C58 H80 N2 Ni2 O12 S20
Title of publication	Polymorphism and Magnetism of (cis-Cyclohexane-1,4-diammonium)(Dicyclohexano[18]crown-6)2[Ni(dmit)2]2Salts
Authors of publication	Ye, Qiong; Akutagawa, Tomoyuki; Noro, Shin-ichiro; Nakamura, Takayoshi; Xiong, Ren-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	11
Pages of publication	4856
a	12.4995 ± 0.0004 Å
b	13.8659 ± 0.0004 Å
c	24.1563 ± 0.0007 Å
α	78.6284 ± 0.0007°
β	75.5395 ± 0.001°
γ	74.4881 ± 0.001°
Cell volume	3868.1 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	0.729
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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