Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials
da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves; CrystEngComm 16 (2014) 6914–; doi:10.1039/C4CE00538D

data_7217340
_publ_section_title
;
 Controlling the energy transfer in lanthanide--organic frameworks for the
 production of white-light emitting materials
;
_journal_issue                   30
_journal_name_full               CrystEngComm
_journal_page_first              6914
_journal_paper_doi               10.1039/C4CE00538D
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C6 H10 Gd O11'
_chemical_formula_sum            'C6 H10 Gd O11'
_chemical_formula_weight         415.39
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_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
_audit_creation_date             2014-04-17T11:56:19-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 94.652(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4612(9)
_cell_length_b                   13.1272(16)
_cell_length_c                   9.4855(11)
_cell_measurement_reflns_used    4123
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.061
_cell_measurement_theta_min      2.4151
_cell_volume                     1050.1(2)
_computing_cell_refinement       'SAINT V8.18C (Bruker AXS Inc.)'
_computing_data_collection       'Bruker Instrument Service v2011.2.0.0'
_computing_data_reduction        'SAINT V8.18C (Bruker AXS Inc.)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0202
_diffrn_reflns_av_unetI/netI     0.0214
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5420
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         2.65
_exptl_absorpt_coefficient_mu    6.374
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7200
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.889
_refine_diff_density_min         -0.567
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         1848
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.0201
_refine_ls_R_factor_gt           0.0186
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0151P)^2^+2.8385P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0453
_refine_ls_wR_factor_ref         0.0459
_reflns_number_gt                1759
_reflns_number_total             1848
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7215450
_cod_data_source_file            c4ce00538d2.cif
_cod_data_source_block           scan_0m_p21_n
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7217340