Crystallography Open Database

Information card for entry 7001706

Preview

Coordinates	7001706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H76 Ca Cl6 F12 Fe2 N2 O19 P4 Pd2 S4
Calculated formula	C88 H70 Ca Cl6 F12 Fe2 N2 O19 P4 Pd2 S4
Title of publication	Na+ and Ca2+ ion selective pyridylcarboxylate rings of Pd(II) and Pt(II)
Authors of publication	Teo, Peili; Koh, L. L.; Hor, T. S. Andy
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	29
Pages of publication	5637
a	18.4811 ± 0.0009 Å
b	21.8543 ± 0.0011 Å
c	25.3431 ± 0.0013 Å
α	90°
β	94.479 ± 0.002°
γ	90°
Cell volume	10204.6 ± 0.9 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	11
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1331
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.1822
Weighted residual factors for all reflections included in the refinement	0.2067
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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