Crystallography Open Database

Information card for entry 2004828

2004827 << 2004828 >> 2004829

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Original IUCr paper	HTML

Structure parameters

Chemical name	[(R)-1,2-diallyoxycarbonylethyl][bis(dimethylglyoximato)] [(R)-1-phenylethylamine]cobalt(III)
Formula	C26 H38 Co N5 O8
Calculated formula	C26 H38 Co N5 O8
SMILES	[Co]12([N](O)=C(C(=N1=O)C)C)([N](O)=C(C(=N2=O)C)C)([NH2][C@H](C)c1ccccc1)[C@@H](C(=O)OCC=C)CC(=O)OCC=C
Title of publication	[(<i>R</i>)-1,2-Bis(allyloxycarbonyl)ethyl]bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[(<i>R</i>)-1-phenylethylamine]cobalt(III)
Authors of publication	Sato, H.; Sakai, Y.; Ohashi, Y.; Arai, Y.; Ohgo, Y.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	5
Pages of publication	1086 - 1089
a	12.083 ± 0.003 Å
b	12.267 ± 0.003 Å
c	9.967 ± 0.001 Å
α	90°
β	89.98 ± 0.02°
γ	90°
Cell volume	1477.3 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections	0.102
Weighted residual factors for significantly intense reflections	0.097
Goodness-of-fit parameter for all reflections	1.043
Goodness-of-fit parameter for significantly intense reflections	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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