Star-shaped PHB-PLA block copolymers: immortal polymerization with dinuclear indium catalysts.
Yu, I.; Ebrahimi, T.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 14248–14254; doi:10.1039/c5dt02357b

data_7035901
_publ_section_title
;
 Star-shaped PHB-PLA block copolymers: immortal polymerization with
 dinuclear indium catalysts.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14248
_journal_page_last               14254
_journal_paper_doi               10.1039/c5dt02357b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C55 H91 Cl3 In2 N4 O5, 1.0(C7 H8)'
_chemical_formula_sum            'C62 H97 Cl3 In2 N4 O5'
_chemical_formula_weight         1314.42
_chemical_name_systematic
;
 ?
;
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2012
_audit_update_record
;
2015-06-29 deposited with the CCDC.
2015-07-03 downloaded from the CCDC.
;
_cell_angle_alpha                81.554(7)
_cell_angle_beta                 80.349(6)
_cell_angle_gamma                74.877(6)
_cell_formula_units_Z            2
_cell_length_a                   12.169(3)
_cell_length_b                   15.269(4)
_cell_length_c                   18.288(5)
_cell_measurement_reflns_used    9921
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.27
_cell_volume                     3214.9(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_structure_solution    'SHELXL-2012 (Sheldrick, 2012)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker X8 DUO'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0464
_diffrn_reflns_av_unetI/netI     0.0425
_diffrn_reflns_laue_measured_fraction_full 0.995
_diffrn_reflns_laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            68410
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.584
_diffrn_reflns_theta_min         1.136
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.890
_exptl_absorpt_correction_T_max  0.9396
_exptl_absorpt_correction_T_min  0.8570
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.09
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_refine_diff_density_max         1.276
_refine_diff_density_min         -0.734
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         14748
_refine_ls_number_restraints     1420
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0223P)^2^+11.6696P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0938
_refine_ls_wR_factor_ref         0.1065
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11156
_reflns_number_total             14748
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt02357b2.cif
_cod_data_source_block           pm134
_cod_depositor_comments
'Adding full bibliography for 7035900--7035902.cif.'
_cod_original_cell_volume        3215.0(15)
_cod_database_code               7035901
_shelx_estimated_absorpt_t_min   0.6801
_shelx_estimated_absorpt_t_max   0.7456
_shelxl_version_number           2012-9
_shelx_res_checksum              3377