Crystallography Open Database

Information card for entry 7061946

7061945 << 7061946 >> 7061947

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Coordinates	7061946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H39 F6 Fe N O3 P2 Pd S
Calculated formula	C48 H39 F6 Fe N O3 P2 Pd S
Title of publication	Preparation, characterization and reactivity of trifluoromethoxy palladium(ii) complexes
Authors of publication	Xu, Songsong; Shao, Yingbo; Zheng, Hanliang; Leng, Xuebing; Xue, Xiao-Song; Shen, Qilong
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	43
Pages of publication	20760 - 20767
a	21.6907 ± 0.0005 Å
b	17.7028 ± 0.0004 Å
c	22.6847 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8710.6 ± 0.3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 K
Number of distinct elements	9
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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