Crystallography Open Database

Information card for entry 7709589

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Coordinates	7709589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H43.25 Li N2 O1.12
Calculated formula	C37.84 H42.922 Li N2 O1.081
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	10.0097 ± 0.0002 Å
b	13.3716 ± 0.0002 Å
c	13.7414 ± 0.0002 Å
α	69.6737 ± 0.0008°
β	77.37 ± 0.0008°
γ	69.1267 ± 0.0008°
Cell volume	1602.03 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0777
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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