Hybrid materials based on novel 2D lanthanide coordination polymers covalently bonded to amine-modified SBA-15 and MCM-41: assembly, characterization, structural features, thermal and luminescence properties.
Wang, Jun; Dou, Wei; Kirillov, Alexander M.; Liu, Weisheng; Xu, Cailing; Fang, Ran; Yang, Lizi; Dalton transactions (Cambridge, England : 2003) 45 (2016) 18610–18621; doi:10.1039/c6dt03558b

data_7041036
_publ_section_title
;
 Hybrid materials based on novel 2D lanthanide coordination polymers
 covalently bonded to amine-modified SBA-15 and MCM-41: assembly,
 characterization, structural features, thermal and luminescence
 properties.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18610
_journal_page_last               18621
_journal_paper_doi               10.1039/c6dt03558b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C32 H25 N0 Nd O14'
_chemical_formula_weight         777.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-09-09 deposited with the CCDC.
2016-10-25 downloaded from the CCDC.
;
_cell_angle_alpha                97.388(2)
_cell_angle_beta                 90.531(2)
_cell_angle_gamma                114.214(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2650(5)
_cell_length_b                   10.4475(5)
_cell_length_c                   17.2106(9)
_cell_measurement_reflns_used    9990
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5031
_cell_measurement_theta_min      3.2823
_cell_volume                     1503.19(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  bruker-CCd
_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  0.1179
_diffrn_reflns_av_sigmaI/netI    0.0620
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            26341
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    1.801
_exptl_absorpt_correction_T_max  0.7259
_exptl_absorpt_correction_T_min  0.7035
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             778
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         4.430
_refine_diff_density_min         -1.307
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         5289
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0620P)^2^+11.5148P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1383
_reflns_number_gt                4805
_reflns_number_total             5289
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt03558b2.cif
_cod_data_source_block           ww
_cod_depositor_comments
'Adding full bibliography for 7041036--7041037.cif.'
_cod_original_cell_volume        1503.19(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7041036