Crystallography Open Database

Information card for entry 7034050

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Coordinates	7034050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H120 F36 N18 O3 P6 Zn3
Calculated formula	C156 H120 F35.9994 N18 O3 P5.9999 Zn3
Title of publication	Self-assembly of triangular metallomacrocycles using unsymmetrical bisterpyridine ligands: isomer differentiation via TWIM mass spectrometry.
Authors of publication	Liang, Yen-Peng; He, Yun-Jui; Lee, Yin-Hsuan; Chan, Yi-Tsu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	11
Pages of publication	5139 - 5145
a	32.7382 ± 0.0005 Å
b	32.7382 ± 0.0005 Å
c	9.1893 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	8529.5 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.2105
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.2265
Weighted residual factors for all reflections included in the refinement	0.2862
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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