Crystallography Open Database

Information card for entry 2202580

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Structure parameters

Formula	C22 H20 Fe N2 O6
Calculated formula	C22 H20 Fe N2 O6
SMILES	[Fe]12(OC(=O)c3cc4ccccc4c[n]13)(OC(=O)c1cc3ccccc3c[n]12)([OH]C)[OH]C
Title of publication	<i>trans</i>-Bis(isoquinoline-3-carboxylato-κ^2^<i>N,O</i>)bis(methanol-κ<i>O</i>)iron(II)
Authors of publication	Okabe, Nobuo; Muranishi, Yasunori
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	10
Pages of publication	m897 - m899
a	10.798 ± 0.002 Å
b	6.281 ± 0.001 Å
c	15.045 ± 0.002 Å
α	90°
β	100.82 ± 0.01°
γ	90°
Cell volume	1002.2 ± 0.3 Å³
Cell temperature	296.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	0.863
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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