An Ultrastable Metal-Organic Material Emits Effcient and Broadband Bluish White-Light Emission for Luminescent Thermometer
Yin, Jinlin; Zhang, Guiyang; Peng, Chengdong; Fei, Honghan; Chemical Communications  (2018) –; doi:10.1039/C8CC08726A

data_7122726
_publ_section_title
;
 An Ultrastable Metal-Organic Material Emits Effcient and Broadband Bluish
 White-Light Emission for Luminescent Thermometer
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C8CC08726A
_journal_year                    2018
_chemical_formula_sum            'C2 H5 O6 P2 Sb'
_chemical_formula_weight         308.75
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-09-28 deposited with the CCDC.
2018-12-12 downloaded from the CCDC.
;
_cell_angle_alpha                83.332(2)
_cell_angle_beta                 83.799(2)
_cell_angle_gamma                68.098(2)
_cell_formula_units_Z            2
_cell_length_a                   4.6984(3)
_cell_length_b                   4.9701(3)
_cell_length_c                   15.6294(10)
_cell_measurement_reflns_used    6885
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.95
_cell_volume                     335.51(4)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_unetI/netI     0.0450
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8384
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_min         3.948
_exptl_absorpt_coefficient_mu    4.567
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.056
_exptl_crystal_description       block
_exptl_crystal_F_000             292
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.070
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.068
_refine_diff_density_min         -1.092
_refine_diff_density_rms         0.256
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     104
_refine_ls_number_reflns         1531
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0383
_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^)+(0.0112P)^2^+2.7351P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0747
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1378
_reflns_number_total             1531
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc08726a2.cif
_cod_data_source_block           mo_170919a_a
_cod_database_code               7122726
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.740
_shelx_estimated_absorpt_t_max   0.875
_shelx_res_checksum              80161