A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.
Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru; Dalton transactions (Cambridge, England : 2003) 47 (2018) 7463–7470; doi:10.1039/c8dt01310a

data_7046176
_publ_section_title
;
 A PEG/copper(i) halide cluster as an eco-friendly catalytic system for
 C-N bond formation.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7463
_journal_page_last               7470
_journal_paper_doi               10.1039/c8dt01310a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C28 H26 Fe2 Te2'
_chemical_formula_weight         729.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-02-11 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.440(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   17.1801(10)
_cell_measurement_reflns_used    9961
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.47
_cell_volume                     2599.6(3)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
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_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0189
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_diffrn_reflns_Laue_measured_fraction_full 0.981
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_diffrn_reflns_number            14137
_diffrn_reflns_point_group_measured_fraction_full 0.981
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         3.472
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    3.329
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_exptl_absorpt_correction_T_min  6.178
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.864
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       flake
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.500
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_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         2951
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.167
_refine_ls_R_factor_all          0.0232
_refine_ls_R_factor_gt           0.0205
_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^)+(0.0265P)^2^+2.1694P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0612
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2701
_reflns_number_total             2951
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01310a2.cif
_cod_data_source_block           lcal4-1
_cod_depositor_comments
'Adding full bibliography for 7046173--7046179.cif.'
_cod_database_code               7046176
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.287
_shelx_estimated_absorpt_t_max   0.800
_shelx_res_checksum              30319