Crystallography Open Database

Information card for entry 7061934

7061933 << 7061934 >> 7061935

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Coordinates	7061934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 Cl3 Fe N O3 P2 Pd
Calculated formula	C41 H34 Cl3 Fe N O3 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	8.1762 ± 0.0003 Å
b	12.2017 ± 0.0004 Å
c	20.0739 ± 0.0006 Å
α	81.262 ± 0.001°
β	80.928 ± 0.001°
γ	74.063 ± 0.001°
Cell volume	1889.1 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0493
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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