Bipyrrolidine salan alkoxide complexes of lanthanides: synthesis, characterisation, activity in the polymerisation of lactide and mechanistic investigation by DOSY NMR.
Beament, James; Kociok-Köhn, Gabriele; Jones, Matthew D.; Buchard, Antoine; Dalton transactions (Cambridge, England : 2003) 47 (2018) 9164–9172; doi:10.1039/c8dt02108b

data_7046718
_publ_section_title
;
 Bipyrrolidine salan alkoxide complexes of lanthanides: synthesis,
 characterisation, activity in the polymerisation of lactide and
 mechanistic investigation by DOSY NMR.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9164
_journal_page_last               9172
_journal_paper_doi               10.1039/c8dt02108b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         '2(C79 H124 N4 O6 Sm2), 3(C7 H8), C6 H14'
_chemical_formula_sum            'C185 H286 N8 O12 Sm4'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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;
2018-05-18 deposited with the CCDC.
2018-06-19 downloaded from the CCDC.
;
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'ORTEP3 for Windows - Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565'
_computing_publication_material
;
 'WinGX publication routines, Farrugia, 
 L. J., J. Appl. Crystallogr., 1999, 32, 837-838
;
_computing_structure_refinement
;
 SHELXL-2014/8 (Sheldrick, 2014)
 Sheldrick GM (2008) Acta Crystallogr A64:112-122 and 
 C. B. H\"ubschle, G. M. Sheldrick and B. Dittrich
 ShelXle: a Qt graphical user interface for SHELXL
 J. Appl. Cryst., 44, (2011) 1281-1284.
;
_computing_structure_solution
; 
 SHELXT
 Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
;
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_diffrn_source                   'fine-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_description       block
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0219P)^2^+3.4223P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0711
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18123
_reflns_number_total             23204
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt02108b2.cif
_cod_data_source_block           SmtBuOHOiPr
_cod_depositor_comments
'Adding full bibliography for 7046715--7046721.cif.'
_cod_database_code               7046718
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.775
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;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelx_res_checksum              84436