Heterobimetallic Ba/Li and Ca/Li amides and diphenylmethanide.
le Coz, Erwann; Roueindeji, Hanieh; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann; Dalton transactions (Cambridge, England : 2003) 48 (2019) 5500–5504; doi:10.1039/c9dt00771g

data_7049364
_publ_section_title
;
 Heterobimetallic Ba/Li and Ca/Li amides and diphenylmethanide.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5500
_journal_page_last               5504
_journal_paper_doi               10.1039/c9dt00771g
_journal_volume                  48
_journal_year                    2019
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C59 H83 Ca Li N4 O2'
_chemical_formula_sum            'C59 H83 Ca Li N4 O2'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2019-02-07 deposited with the CCDC.    2019-03-19 downloaded from the CCDC.
;
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_computing_cell_refinement       'APEX3 (Bruker, 2015); SAINT (Bruker, 2014)'
_computing_data_collection       'SAINT (Bruker, 2014)'
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'SXGRAPH (Farrugia, 1999), Mercury (CSD, 2014)'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2016)'
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0439
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_diffrn_reflns_limit_k_min       -28
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_exptl_absorpt_coefficient_mu    0.156
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_exptl_absorpt_correction_type   multi-scan
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;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            yellow
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_exptl_crystal_size_mid          0.300
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         12758
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0597
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0790P)^2^+3.8795P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
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'Adding full bibliography for 7049362--7049364.cif.'
_cod_original_cell_volume        5571.6(13)
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