Crystallography Open Database

Information card for entry 7046704

Preview

Coordinates	7046704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H112 F24 O38 S8 Sm4
Calculated formula	C64 H112 F24 O38 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	13.0196 ± 0.0008 Å
b	14.5677 ± 0.0008 Å
c	15.4211 ± 0.0009 Å
α	95.673 ± 0.002°
β	114.423 ± 0.002°
γ	101.168 ± 0.002°
Cell volume	2559.7 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229190 (current)	2019-11-17	cif/ Updating files of 7046702, 7046703, 7046704, 7046705 Original log message: Adding full bibliography for 7046702--7046705.cif.	7046704.cif
208474	2018-06-18	cif/ Adding structures of 7046702, 7046703, 7046704, 7046705 via cif-deposit CGI script.	7046704.cif