Crystallography Open Database

Information card for entry 7714708

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Coordinates	7714708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H72 I3 N12 O6 Sc
Calculated formula	C36 H72 I3 N12 O6 Sc
Title of publication	Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.
Authors of publication	Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1817 - 1832
a	11.9413 ± 0.001 Å
b	12.0708 ± 0.001 Å
c	17.9935 ± 0.0016 Å
α	90°
β	91.59 ± 0.002°
γ	90°
Cell volume	2592.6 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.0585
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	0.902
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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