Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence
Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik; CrystEngComm 18 (2016) 6738–; doi:10.1039/C6CE01166G

data_7226000
_publ_section_title
;
 Mechanochemically synthesized crystalline luminescent 2D coordination
 polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+:
 synthesis, crystal structures and luminescence
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              6738
_journal_paper_doi               10.1039/C6CE01166G
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C12 H11 La N4 O11'
_chemical_formula_sum            'C12 H11 La N4 O11'
_chemical_formula_weight         526.16
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-12-23 deposited with the CCDC.
2016-07-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.9559(5)
_cell_length_b                   14.7492(8)
_cell_length_c                   27.8802(18)
_cell_measurement_reflns_used    3539
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.80
_cell_measurement_theta_min      2.93
_cell_volume                     3271.6(3)
_computing_cell_refinement
;
Oxford Diffraction Poland (2009). CrysAlis Red,
Version 1.171.33.42
;
_computing_data_collection
;
Oxford Diffraction Poland (2009). CrysAlis CCD,
Version 1.171.33.42
;
_computing_data_reduction
;
Oxford Diffraction Poland (2009). CrysAlis Red,
Version 1.171.33.42
;
_computing_molecular_graphics
;
Brandenburg & Putz (2006). Diamond 3.0. Crystal and Molecular
Structure Visualisation, University of Bonn, Germany
;
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean '1024x1024 with blocks 2x2'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'KUMA KM-4 with CCD detector'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0561
_diffrn_reflns_av_sigmaI/netI    0.0397
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            42639
_diffrn_reflns_theta_full        29.20
_diffrn_reflns_theta_max         29.79
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    2.685
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_correction_T_min  0.5988
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Oxford Diffraction Poland (2009). CrysAlis Red,
Version 1.171.33.42
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.136
_exptl_crystal_density_meas      2.13
_exptl_crystal_density_method    floatation
_exptl_crystal_description       parallepiped
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.728
_refine_diff_density_min         -0.826
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         4478
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0145P)^2^+4.3163P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0446
_refine_ls_wR_factor_ref         0.0499
_reflns_number_gt                3371
_reflns_number_total             4478
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c6ce01166g2.cif
_cod_data_source_block           ir1
_cod_depositor_comments
'Adding full bibliography for 7225999--7226000.cif.'
_cod_database_code               7226000