Crystallography Open Database

Information card for entry 7024833

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Structure parameters

Formula	C70 H101 N6 Sm
Calculated formula	C70 H101 N6 Sm
SMILES	[Sm]123([N](=CN1C1CCCCC1)C1CCCCC1)([N](=CN2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](=CN3c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
Title of publication	Steric control of the reduction of carbodiimides by samarium(II) and the synthesis of very crowded samarium(III) complexes.
Authors of publication	Cole, Marcus L.; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Polo Cerón, Dorian; Wang, Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	29
Pages of publication	6732 - 6738
a	13.1079 ± 0.0003 Å
b	13.513 ± 0.0003 Å
c	18.4697 ± 0.0004 Å
α	90.134 ± 0.001°
β	92.806 ± 0.001°
γ	101.948 ± 0.001°
Cell volume	3196.51 ± 0.12 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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