Crystallography Open Database

Information card for entry 7121212

Preview

Coordinates	7121212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.67 H38.33 Cl4.33 Fe2 N4 Pd
Calculated formula	C34.6667 H38.3333 Cl4.33333 Fe2 N4 Pd
Title of publication	Chiral triazolylidene-Pd-PEPPSI: synthesis, characterization, and application in asymmetric Suzuki-Miyaura cross-coupling.
Authors of publication	Haraguchi, Ryosuke; Hoshino, Shun; Yamazaki, Tatsuro; Fukuzawa, Shin-Ichi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	17
Pages of publication	2110 - 2113
a	23.629 ± 0.003 Å
b	23.629 ± 0.003 Å
c	16.877 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	8160.5 ± 1.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.1107
Residual factor for significantly intense reflections	0.088
Weighted residual factors for significantly intense reflections	0.1868
Weighted residual factors for all reflections included in the refinement	0.2047
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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