Crystallography Open Database

Information card for entry 2007349

2007348 << 2007349 >> 2007350

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Coordinates	2007349.cif
Original IUCr paper	HTML

Structure parameters

Formula	C36 H48 N4 O5 Zn
Calculated formula	C36 H48 N4 O5 Zn
SMILES	[Zn]12([OH2])([O]=C(c3c(n(nc3C)c3ccccc3)O1)CCCCCCC)[O]=C(c1c(n(nc1C)c1ccccc1)O2)CCCCCCC
Title of publication	Aquabis(3-methyl-4-octanoyl-1-phenyl-5-pyrazolonato-<i>O</i>,<i>O</i>')zinc(II) and Bis(ethanol-<i>O</i>)bis(3-methyl-1-phenyl-4-stearoyl-5-pyrazolonato-<i>O</i>,<i>O</i>')cadmium(II)
Authors of publication	Mickler, Wulfhard; Reich, Annett; Sawusch, Stefan; Schilde, Uwe; Uhlemann, Erhard
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	6
Pages of publication	776 - 779
a	10.181 ± 0.005 Å
b	13.047 ± 0.007 Å
c	14.751 ± 0.007 Å
α	101.6 ± 0.03°
β	101.9 ± 0.04°
γ	99.86 ± 0.05°
Cell volume	1831.3 ± 1.7 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 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 all reflections	0.0965
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for all reflections	0.1381
Weighted residual factors for significantly intense reflections	0.1166
Goodness-of-fit parameter for all reflections	0.968
Goodness-of-fit parameter for significantly intense reflections	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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