Crystallography Open Database

Information card for entry 2000568

2000567 << 2000568 >> 2000569

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Coordinates	2000568.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	tetrakis(μ-2,2-dimethylpropanoato-O,O')di(2-ethylpyridine)dinickel
Formula	C34 H54 N2 Ni2 O8
Calculated formula	C34 H54 N2 Ni2 O8
SMILES	[n]1(c(cccc1)CC)[Ni]1234[O]=C(C(C)(C)C)O[Ni]1([n]1c(cccc1)CC)([O]=C(C(C)(C)C)O3)(OC(C(C)(C)C)=[O]2)[O]=C(C(C)(C)C)O4
Title of publication	Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~
Authors of publication	Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	10
Pages of publication	1888 - 1894
a	10.616 ± 0.001 Å
b	11.059 ± 0.001 Å
c	9.826 ± 0.001 Å
α	98.22 ± 0.01°
β	109.03 ± 0.01°
γ	62.52 ± 0.01°
Cell volume	967.47 ± 0.19 Å³
Cell temperature	299 K
Ambient diffraction temperature	299 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.037
Goodness-of-fit parameter for significantly intense reflections	3.624
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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