Crystallography Open Database

Information card for entry 2000565

2000564 << 2000565 >> 2000566

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Coordinates	2000565.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	tetrakis(μ-2,2-dimethylpropanoate-O,O')di(2,5-lutidine)dinickel
Formula	C34 H54 N2 Ni2 O8
Calculated formula	C34 H54 N2 Ni2 O8
SMILES	[n]1(c(ccc(c1)C)C)[Ni]1234[O]=C(C(C)(C)C)O[Ni]4([n]4c(ccc(c4)C)C)([O]=C(O1)C(C)(C)C)(OC(=[O]3)C(C)(C)C)[O]=C(C(C)(C)C)O2
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	20.52 ± 0.002 Å
b	10.647 ± 0.001 Å
c	18.26 ± 0.002 Å
α	90°
β	91.015 ± 0.008°
γ	90°
Cell volume	3988.8 ± 0.7 Å³
Cell temperature	299 K
Ambient diffraction temperature	299 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.031
Goodness-of-fit parameter for significantly intense reflections	2.29
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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