Crystallography Open Database

Information card for entry 7061933

7061932 << 7061933 >> 7061934

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Coordinates	7061933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H40 Fe O P2 Se2
Calculated formula	C35 H40 Fe O P2 Se2
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	10.3484 ± 0.0008 Å
b	13.2912 ± 0.001 Å
c	11.8953 ± 0.0009 Å
α	90°
β	101.676 ± 0.003°
γ	90°
Cell volume	1602.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.0192
Weighted residual factors for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.043
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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