Crystallography Open Database

Information card for entry 7709593

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Coordinates	7709593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 Fe N4 O
Calculated formula	C48 H60 Fe N4 O
Title of publication	Iron(II) Complexes Supported by Pyrazolyl-Substituted Cyclopentadienyl Ligands: Synthesis and Characterization
Authors of publication	Rungthanaphatsophon, Pokpong; Rath, Nigam; Neely, Jamie
Journal of publication	Dalton Transactions
Year of publication	2022
a	11.9677 ± 0.0019 Å
b	11.7643 ± 0.0017 Å
c	30.947 ± 0.004 Å
α	90°
β	97.162 ± 0.006°
γ	90°
Cell volume	4323.1 ± 1.1 Å³
Cell temperature	157 ± 2 K
Ambient diffraction temperature	157 ± 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 all reflections	0.093
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1711
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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