Crystallography Open Database

Information card for entry 7061945

7061944 << 7061945 >> 7061946

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Coordinates	7061945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H47 F3 Fe N P2 Pd
Calculated formula	C54 H47 F3 Fe N P2 Pd
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	10.3574 ± 0.0002 Å
b	17.7893 ± 0.0003 Å
c	27.4578 ± 0.0005 Å
α	90°
β	95.576 ± 0.001°
γ	90°
Cell volume	5035.19 ± 0.16 Å³
Cell temperature	169.96 K
Ambient diffraction temperature	169.96 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	0.0548
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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