Crystallography Open Database

Information card for entry 7719740

7719739 << 7719740 >> 7719741

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Coordinates	7719740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 Cl2 Fe2 P2 Pd S2
Calculated formula	C54 H46 Cl2 Fe2 P2 Pd S2
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	11.0368 ± 0.0002 Å
b	12.7503 ± 0.0003 Å
c	16.351 ± 0.0004 Å
α	90°
β	98.395 ± 0.001°
γ	90°
Cell volume	2276.3 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
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	0.0239
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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