Crystallography Open Database

Information card for entry 7008920

Preview

Coordinates	7008920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H54 N4 Nd O13 P3
Calculated formula	C30 H40 N4 Nd O12.1 P3
Title of publication	Derivative of cyclen with three methylene(phenyl)phosphinic acid pendant arms. Synthesis and crystal structures of its lanthanide complexes
Authors of publication	Rohovec, Jan; Vojtíšek, Pavel; Hermann, Petr; Ludvík, Jiří; Lukeš, Ivan
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	2
Pages of publication	141
a	13.112 ± 0.003 Å
b	19.758 ± 0.005 Å
c	15.928 ± 0.005 Å
α	90°
β	109.38 ± 0.02°
γ	90°
Cell volume	3892.6 ± 1.9 Å³
Cell temperature	170 ± 1 K
Ambient diffraction temperature	170 ± 1 K
Number of distinct elements	6
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	0.0837
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1787
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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