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_7236760
_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            'C52 H46 Cu2 I2 N4 P2'
_chemical_formula_weight         1169.75
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -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                113.6280(10)
_cell_angle_beta                 102.747(2)
_cell_angle_gamma                94.386(2)
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_cell_length_c                   15.7384(6)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      43.851
_cell_measurement_theta_min      2.520
_cell_volume                     2412.23(15)
_computing_cell_refinement       'Bruker SAINT v8.34a'
_computing_data_collection       'Bruker APEX 2'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
_diffrn_measurement_method       '\w/\q shutterless scans'
_diffrn_radiation_type           synchrotron
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_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            52670
_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_full        27.706
_diffrn_reflns_theta_max         44.030
_diffrn_reflns_theta_min         2.148
_diffrn_source                   'Advanced Light Source station 11.3.1'
_exptl_absorpt_coefficient_mu    2.842
_exptl_absorpt_correction_T_max  0.895
_exptl_absorpt_correction_T_min  0.782
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5 Bruker AXS Madison WI USA'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         27803
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0398
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_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0200P)^2^+0.6530P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                22346
_reflns_number_total             27803
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7tc00889a2.cif
_cod_data_source_block           wl11_29e_2_a
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.784
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_shelx_res_checksum              83573