Crystallography Open Database

Information card for entry 7056643

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Coordinates	7056643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 F12 N8 P2 Pd
Calculated formula	C40 H40 F11.994 N8 P1.999 Pd
Title of publication	Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands
Authors of publication	Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	22
Pages of publication	13442 - 13453
a	12.925 ± 0.004 Å
b	13.073 ± 0.004 Å
c	16.324 ± 0.006 Å
α	75.27 ± 0.007°
β	69.306 ± 0.007°
γ	66.767 ± 0.006°
Cell volume	2349.8 ± 1.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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