Organometallic phosphors as building blocks in sol‒gel chemistry: luminescent organometallo-silica materials
Ezquerro, C.; Sepúlveda, A. E.; Grau-Atienza, A.; Serrano, E.; Lalinde, E.; Berenguer, J. R.; García-Martínez, J.; Journal of Materials Chemistry C 5 (2017) 9721–; doi:10.1039/C7TC02188G

data_7236824
_publ_section_title
;
 Organometallic phosphors as building blocks in sol--gel chemistry:
 luminescent organometallo-silica materials
;
_journal_issue                   37
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              9721
_journal_paper_doi               10.1039/C7TC02188G
_journal_volume                  5
_journal_year                    2017
_chemical_formula_moiety         'C39 H37 F5 N O3 P Pt Si'
_chemical_formula_sum            'C39 H37 F5 N O3 P Pt Si'
_chemical_formula_weight         916.84
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2017-02-08T11:32:44-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2017-05-18 deposited with the CCDC.
2017-08-10 downloaded from the CCDC.
;
_cell_angle_alpha                75.765(3)
_cell_angle_beta                 84.072(2)
_cell_angle_gamma                71.946(3)
_cell_formula_units_Z            2
_cell_length_a                   12.2141(5)
_cell_length_b                   12.5271(4)
_cell_length_c                   12.7251(5)
_cell_measurement_reflns_used    6874
_cell_measurement_temperature    173.0(10)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      1.652
_cell_measurement_wavelength     0.71073
_cell_volume                     1793.56(12)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      173.0(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.94
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_UB_11      0.048722
_diffrn_orient_matrix_UB_12      0.000806
_diffrn_orient_matrix_UB_13      -0.06819
_diffrn_orient_matrix_UB_21      -0.039029
_diffrn_orient_matrix_UB_22      -0.049816
_diffrn_orient_matrix_UB_23      -0.022565
_diffrn_orient_matrix_UB_31      -0.05936
_diffrn_orient_matrix_UB_32      0.070338
_diffrn_orient_matrix_UB_33      -0.037675
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_Laue_measured_fraction_full 0.937
_diffrn_reflns_Laue_measured_fraction_max 0.94
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7719
_diffrn_reflns_point_group_measured_fraction_full 0.937
_diffrn_reflns_point_group_measured_fraction_max 0.94
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.471
_diffrn_reflns_theta_min         3.305
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.055
_exptl_absorpt_correction_T_max  0.68
_exptl_absorpt_correction_T_min  0.585
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        multi-scan from symmetry-related measurements
        Sortav (Blessing 1995)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             908
_exptl_crystal_preparation       ', Luminescent'
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.129
_refine_diff_density_min         -1.881
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     478
_refine_ls_number_reflns         7719
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0578P)^2^+1.6208P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0821
_reflns_Friedel_coverage         0
_reflns_number_gt                7471
_reflns_number_total             7719
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7tc02188g2.cif
_cod_data_source_block           shelx
_cod_database_code               7236824