Crystallography Open Database

Information card for entry 7020735

7020734 << 7020735 >> 7020736

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Coordinates	7020735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 N6 O4 Pr
Calculated formula	C20 H16 N7 O4 Pr
Title of publication	A porous Sm(III) coordination nanotube with hydrophobic and hydrophilic channels.
Authors of publication	Lopez, Nazario; Zhao, Hanhua; Zhao, Dan; Zhou, Hong-Cai; Riebenspies, Joseph P.; Dunbar, Kim R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	1
Pages of publication	54 - 57
a	25.213 ± 0.004 Å
b	25.213 ± 0.004 Å
c	6.7519 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	3717.1 ± 1.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	193
Hermann-Mauguin space group symbol	P 63/m c m
Hall space group symbol	-P 6c 2
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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