Crystallography Open Database

Information card for entry 7046702

Preview

Coordinates	7046702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H60 F24 O35 S8 Sm4
Calculated formula	C36 H60 F24 O35 S8 Sm4
Title of publication	Small molecule activation with divalent samarium triflate: a synergistic effort to cleave O<sub>2</sub>.
Authors of publication	Xémard, Mathieu; Cordier, Marie; Louyriac, Elisa; Maron, Laurent; Clavaguéra, Carine; Nocton, Grégory
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	28
Pages of publication	9226 - 9230
a	14.473 Å
b	14.473 ± 0.003 Å
c	17.246 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3612.5 ± 1 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 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	0.0837
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	0.737
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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