A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors
Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing; Journal of Materials Chemistry C 5 (2017) 5962–; doi:10.1039/C7TC00889A

data_7236763
_publ_section_title
;
 A mechanochemical route toward the rational, systematic, and
 cost-effective green synthesis of strongly luminescent copper iodide
 based hybrid phosphors
;
_journal_issue                   24
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              5962
_journal_paper_doi               10.1039/C7TC00889A
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C57 H56 Cu2 I2 N2 P2'
_chemical_formula_weight         1211.85
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     'intrinsic phasing'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-10-16 deposited with the CCDC.
2017-05-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.349(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   17.6739(7)
_cell_measurement_reflns_used    9920
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.606
_cell_measurement_theta_min      3.107
_cell_volume                     5150.2(4)
_computing_cell_refinement       'Bruker SAINT v8.34a'
_computing_data_collection       'Bruker APEX 2'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL 2014/4'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.42
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
_diffrn_measurement_method       '\w/\q shutterless scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7749
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            66494
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        27.706
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_diffrn_reflns_theta_min         2.511
_diffrn_source                   'Advanced Light Source station 11.3.1'
_exptl_absorpt_coefficient_mu    2.664
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5 Bruker AXS Madison WI USA'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_description       needle
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_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.562
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         15758
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_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0449
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0165P)^2^+3.9297P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0563
_refine_ls_wR_factor_ref         0.0617
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12551
_reflns_number_total             15758
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7tc00889a2.cif
_cod_data_source_block           wl11_18a_2_a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7236763
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.618
_shelx_estimated_absorpt_t_max   0.901
_shelx_res_checksum              85138