Probing the role of secondary versus tertiary amine donor ligands for indium catalysts in lactide polymerization.
Osten, Kimberly M.; Aluthge, Dinesh C.; Patrick, Brian O.; Mehrkhodavandi, Parisa; Inorganic chemistry 53 (2014) 9897–9906; doi:10.1021/ic501529f

data_4340956
_publ_section_title
;
 Probing the role of secondary versus tertiary amine donor ligands for
 indium catalysts in lactide polymerization.
;
_journal_issue                   18
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9897
_journal_page_last               9906
_journal_paper_doi               10.1021/ic501529f
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C62 H95 Br3 In2 N4 O3'
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_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 91.959(3)
_cell_angle_gamma                90.00
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_cell_length_a                   16.954(2)
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_cell_measurement_theta_max      32.36
_cell_measurement_theta_min      2.56
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90.0(1)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX DUO'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_max       25
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_exptl_absorpt_correction_T_min  0.455
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             2888
_exptl_crystal_size_max          0.78
_exptl_crystal_size_mid          0.12
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_refine_diff_density_max         3.368
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.342(10)
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0852P)^2^+62.3481P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.2210
_reflns_number_gt                27754
_reflns_number_total             39410
_reflns_threshold_expression     >2\s(I)
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'Adding full bibliography for 4340954--4340957.cif.'
_cod_original_cell_volume        6417.6(14)
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_cod_database_code               4340956