Crystallography Open Database

Information card for entry 4325479

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Coordinates	4325479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H72 Fe2 N16 O14 Pd2
Calculated formula	C48 H72 Fe2 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	9.8461 ± 0.0006 Å
b	11.073 ± 0.0007 Å
c	14.814 ± 0.0009 Å
α	93.295 ± 0.001°
β	105.099 ± 0.002°
γ	98.765 ± 0.001°
Cell volume	1533.13 ± 0.16 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0703
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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