Layered exfoliable crystalline materials based on Sm-, Eu- and Eu/Gd-2-phenylsuccinate frameworks. Crystal structure, topology and luminescence properties.
Gomez, G. E.; Bernini, M. C.; Brusau, E. V.; Narda, G. E.; Vega, D.; Kaczmarek, A. M.; Van Deun, R.; Nazzarro, M.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 3417–3429; doi:10.1039/c4dt02844a

data_7033583
_publ_section_title
;
 Layered exfoliable crystalline materials based on Sm-, Eu- and
 Eu/Gd-2-phenylsuccinate frameworks. Crystal structure, topology and
 luminescence properties.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3417
_journal_page_last               3429
_journal_paper_doi               10.1039/c4dt02844a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'Sm2 . (C10H7O4)3 . H2O'
_chemical_formula_sum            'C30 H26 O13 Sm2'
_chemical_formula_weight         895.21
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2014-12-22 deposited with the CCDC.
2015-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.222(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.3688(8)
_cell_length_b                   18.2815(9)
_cell_length_c                   11.1221(5)
_cell_measurement_reflns_used    4609
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      55.27
_cell_measurement_theta_min      2.93
_cell_volume                     3065.2(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0561
_diffrn_reflns_av_unetI/netI     0.0733
_diffrn_reflns_Laue_measured_fraction_full 0.939
_diffrn_reflns_Laue_measured_fraction_max 0.939
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            14737
_diffrn_reflns_point_group_measured_fraction_full 0.939
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_theta_full        62.378
_diffrn_reflns_theta_max         62.378
_diffrn_reflns_theta_min         2.931
_exptl_absorpt_coefficient_mu    29.058
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.940
_exptl_crystal_description       prism
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.040
_exptl_transmission_factor_max   0.3779
_exptl_transmission_factor_min   0.1408
_refine_diff_density_max         0.844
_refine_diff_density_min         -1.137
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         4576
_refine_ls_number_restraints     124
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0529
_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^)+(0.0605P)^2^+4.7418P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1292
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3289
_reflns_number_total             4576
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4dt02844a2.cif
_cod_data_source_block           Sm_psa
_cod_depositor_comments
'Adding full bibliography for 7033583--7033585.cif.'
_cod_database_code               7033583
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.078
_shelx_estimated_absorpt_t_max   0.389
_exptl_absorpt_special_details
;
SADABS v.2.10 (Bruker,2003) was used for 
absorption correction. wR2(int) was 0.1416  
before and 0.0634 after correction. 
The Ratio of minimum to maximum transmission 
is 0.3725. The \l/2 correction factor is 0.0015
;
_shelx_res_checksum              11210