Crystallography Open Database

Information card for entry 7060361

Preview

Coordinates	7060361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H34.5 Cl2.5 Fe N2 O2 P Pd S
Calculated formula	C32.5 H34.5 Cl2.5 Fe N2 O2 P Pd S
Title of publication	Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand
Authors of publication	Varmužová, Věra; Horký, Filip; Štěpnička, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	6
Pages of publication	3319 - 3327
a	10.652 ± 0.0005 Å
b	16.9584 ± 0.0008 Å
c	20.2403 ± 0.0009 Å
α	109.208 ± 0.001°
β	101.163 ± 0.002°
γ	100.816 ± 0.002°
Cell volume	3260.3 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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