Crystallography Open Database

Information card for entry 7719745

7719744 << 7719745 >> 7719746

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Coordinates	7719745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Fe N P S
Calculated formula	C26 H22 Fe N P S
Title of publication	Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.
Authors of publication	Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	44
Pages of publication	16611 - 16628
a	9.3576 ± 0.0004 Å
b	16.7762 ± 0.0009 Å
c	27.5564 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4325.9 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0796
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	No
Has F_obs	No

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