Dinuclear triple stranded phenyl-spaced 1,3-bis-β-diketonato lanthanide(iii) complexes: synthesis, structures and spectroscopy.
Brock, A. J.; Etchells, I. M.; Moore, E. G.; Clegg, J. K.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 4874–4879; doi:10.1039/d1dt00393c

data_7706847
_publ_section_title
;
 Dinuclear triple stranded phenyl-spaced 1,3-bis-\b-diketonato
 lanthanide(iii) complexes: synthesis, structures and spectroscopy.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4874
_journal_page_last               4879
_journal_paper_doi               10.1039/d1dt00393c
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C66 H84 O14 Yb2'
_chemical_formula_sum            'C66 H84 O14 Yb2'
_chemical_formula_weight         1447.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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Olex2 1.2
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2020-01-21 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
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_cell_angle_alpha                90
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_cell_angle_gamma                90
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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(compiled Aug 13 2014,18:06:01)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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  1 omega   53.00   98.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega   53.00   98.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6102 -178.0000   90.0000 45

  3 omega  -44.00   46.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -      -22.3914   57.0000 -150.0000 90

  4 omega  -95.00   51.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -      -22.3914    0.0000  -60.0000 146

  5 omega  -91.00  -37.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -      -22.3914  -57.0000  120.0000 54

  6 omega  -93.00    8.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -      -22.3914  -77.0000 -120.0000 101
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_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_number            67771
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.283
_diffrn_reflns_theta_min         3.261
_diffrn_source                   'Enhance (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colourless
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'w=1/[\s^2^(Fo^2^)+(0.0265P)^2^+1.0287P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7706844--7706847.cif.'
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00J(H00J), C00Q(H00Q), C00R(H00R), C00S(H00S), C00U(H00U), C00W(H00W),
 C010(H010), C014(H014), C015(H015), C019(H019), C01A(H01A), C01D(H01D),
 C01E(H01E), C01F(H01F), C01G(H01G), C01I(H01I), C01T(H01Y), C01X(H1AA)
2.b Idealised Me refined as rotating group:
 C01L(H01B,H01C,H01H), C01N(H01J,H01K,H01L), C01P(H01M,H01N,H01O), C01Q(H01P,
 H01Q,H01R), C01R(H01S,H01T,H01U), C01S(H01V,H01W,H01X), C01U(H01Z,H,HA),
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;
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_olex2_submission_special_instructions 'No special instructions were received'