Crystallography Open Database

Information card for entry 7025261

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Coordinates	7025261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H89 N15 O28 Pd3
Calculated formula	C81 H89.004 N15 O28.002 Pd3
Title of publication	Self-assembly of bowl-like trinuclear metallo-macrocycles.
Authors of publication	Ning, Guo-Hong; Xie, Ting-Zheng; Pan, Yuan-Jiang; Li, Yi-Zhi; Yu, Shu-Yan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	13
Pages of publication	3203 - 3211
a	12.5206 ± 0.0006 Å
b	20.1546 ± 0.0012 Å
c	20.5334 ± 0.001 Å
α	97.11 ± 0.03°
β	105.17 ± 0.03°
γ	96.58 ± 0.02°
Cell volume	4903.8 ± 1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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