Crystallography Open Database

Information card for entry 7036797

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Coordinates	7036797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H31 Fe O6
Calculated formula	C37 H31 Fe O6
Title of publication	Straightforward synthesis of iron cyclopentadienone N-heterocyclic carbene complexes.
Authors of publication	Cingolani, Andrea; Cesari, Cristiana; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria Cristina; Mazzoni, Rita
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	44
Pages of publication	19063 - 19067
a	14.3553 ± 0.0002 Å
b	11.8026 ± 0.0002 Å
c	17.6616 ± 0.0003 Å
α	90°
β	90.071 ± 0.001°
γ	90°
Cell volume	2992.4 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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