Crystallography Open Database

Information card for entry 4325477

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Coordinates	4325477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H72 N16 O14 Pd2
Calculated formula	C56 H72 N16 O14 Pd2
Title of publication	Synthesis and Anion Sensing of Water-Soluble Metallomacrocycles
Authors of publication	Liao-Yuan Yao; Lin Qin; Ting-Zheng Xie; Yi-Zhi Li; Shu-Yan Yu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6055 - 6062
a	11.8736 ± 0.0018 Å
b	21.6334 ± 0.0015 Å
c	27.529 ± 0.0016 Å
α	90°
β	98.295 ± 0.003°
γ	90°
Cell volume	6997.3 ± 1.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
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	0.0784
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1236
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	Yes
Has F_obs	No

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