Crystallography Open Database

Information card for entry 7028867

Preview

Coordinates	7028867.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fe12b(bipy)
Formula	C35 H38 Fe N5 O8
Calculated formula	C35 H38 Fe N5 O8
Title of publication	Synthesis and characterization of 1D iron(II) spin crossover coordination polymers with hysteresis.
Authors of publication	Bauer, Wolfgang; Lochenie, Charles; Weber, Birgit
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	1990 - 1999
a	11.1228 ± 0.0009 Å
b	11.8129 ± 0.0009 Å
c	13.317 ± 0.0009 Å
α	102.269 ± 0.005°
β	103.44 ± 0.0041°
γ	95.9468 ± 0.0039°
Cell volume	1641.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 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	0.114
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1644
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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