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_7706846
_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 Gd2 O14'
_chemical_formula_sum            'C66 H84 Gd2 O14'
_chemical_formula_weight         1415.83
_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
_atom_sites_solution_primary     direct
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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,
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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  1 omega   53.00   98.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega   53.00   98.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6102 -178.0000   60.0000 45

  3 omega  -95.00   51.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -22.3914    0.0000   90.0000 146

  4 omega  -66.00   51.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -22.3914   19.0000    0.0000 117

  5 omega   53.00   85.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -       21.6102 -178.0000 -120.0000 32

  6 omega  -93.00    8.00   1.0000   60.0000
omega____ theta____ kappa____ phi______ frames
    -      -22.3914  -77.0000  -30.0000 101
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_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0555
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_l_max       21
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_diffrn_reflns_number            68980
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         3.357
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colourless
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0315P)^2^+3.0053P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7706844--7706847.cif.'
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_chemical_oxdiff_formula         'C80 H80 O10 N2 Gd2'
_chemical_oxdiff_usercomment     Gd?
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_reflns_odcompleteness_theta     28.22
_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:
 C00K(H00K), C00P(H00P), C00S(H00S), C00T(H00T), C00U(H00U), C00X(H00X),
 C00Z(H00Z), C011(H011), C019(H019), C01B(H01B), C01C(H01C), C01D(H01D),
 C01H(H01H), C01I(H01I), C01J(H01J), C01L(H01L), C01N(H01N), C01V(H0AA)
2.b Idealised Me refined as rotating group:
 C01G(H01A,H01E,H01F), C01M(H01G,H01K,H01M), C01P(H01O,H01P,H01Q), C01Q(H01R,
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;
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