Crystallography Open Database

Information card for entry 2000567

2000566 << 2000567 >> 2000568

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Coordinates	2000567.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	tetrakis(μ-2-methyl-2-phenylpropanoato-O,O')di(quinoline)dinickel
Formula	C58 H58 N2 Ni2 O8
Calculated formula	C58 H58 N2 Ni2 O8
SMILES	[n]1(cccc2c1cccc2)[Ni]1234[O]=C(C(C)(C)c5ccccc5)O[Ni]4([n]4cccc5ccccc45)([O]=C(O1)C(C)(C)c1ccccc1)(OC(=[O]3)C(C)(C)c1ccccc1)[O]=C(O2)C(C)(C)c1ccccc1
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	10.992 ± 0.001 Å
b	20.932 ± 0.001 Å
c	10.964 ± 0.001 Å
α	90°
β	90.587 ± 0.005°
γ	90°
Cell volume	2522.5 ± 0.3 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.026
Goodness-of-fit parameter for significantly intense reflections	1.726
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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