Crystallography Open Database

Information card for entry 2012999

2012998 << 2012999 >> 2013000

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Structure parameters

Formula	C30 H36 Fe N3 O6
Calculated formula	C30 H36 Fe N3 O6
SMILES	[Fe]123(OC(=O)c4[n]1cc(cc4)CCCC)(OC(=O)c1[n]3cc(cc1)CCCC)OC(=O)c1[n]2cc(cc1)CCCC
Title of publication	5-<i>n</i>-Butylpyridine-2-carboxylate–copper(II) and –iron(III) complexes
Authors of publication	Okabe, Nobuo; Muranishi, Yasunori; Wada, Yoshio
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	10
Pages of publication	m511 - m513
a	9.946 ± 0.005 Å
b	22.271 ± 0.005 Å
c	14.072 ± 0.004 Å
α	90°
β	98.4 ± 0.03°
γ	90°
Cell volume	3083.6 ± 1.9 Å³
Cell temperature	296.2 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	0.062
Weighted residual factors for all reflections included in the refinement	0.225
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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