Crystallography Open Database

Information card for entry 7002135

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Coordinates	7002135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H30 Br4 F9 N10 O13 Pr S3
Calculated formula	C45 H30 Br4 F9 N10 O13 Pr S3
Title of publication	1 : 1 vs. 2 : 1 coordination of pentadentate hydrazone-type ligands to lanthanide(iii) ions. Formation of cationic as well as dicationic complexes
Authors of publication	Albrecht, Markus; Yulia, Yeni; Exarchos, Anna; Nachev, Philipp; Fröhlich, Roland
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	36
Pages of publication	7421 - 7427
a	12.936 ± 0.0001 Å
b	13.9724 ± 0.0001 Å
c	19.812 ± 0.0003 Å
α	92.5 ± 0.001°
β	105.367 ± 0.001°
γ	112.917 ± 0.001°
Cell volume	3136.64 ± 0.07 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.2029
Weighted residual factors for all reflections included in the refinement	0.2203
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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