Crystallography Open Database

Information card for entry 7025260

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Coordinates	7025260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H51 N15 O13 Pd3
Calculated formula	C53 H50.996 N15 O12.998 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	31.483 ± 0.008 Å
b	26.681 ± 0.009 Å
c	16.15 ± 0.003 Å
α	90°
β	118.81 ± 0.03°
γ	90°
Cell volume	11887 ± 6 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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