Crystallography Open Database

Information card for entry 7061938

7061937 << 7061938 >> 7061939

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Coordinates	7061938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H67 Cl2 Fe O2.5 P2 Pd
Calculated formula	C35 H52 Cl2 Fe O P2 Pd
Title of publication	Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety
Authors of publication	Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	45
Pages of publication	21536 - 21552
a	11.7264 ± 0.0005 Å
b	19.7632 ± 0.0008 Å
c	17.7941 ± 0.0008 Å
α	90°
β	98.506 ± 0.002°
γ	90°
Cell volume	4078.4 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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