1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers
Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry; CrystEngComm 15 (2013) 1882–; doi:10.1039/c2ce26940f

data_7209235
_publ_section_title
;
 1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high
 dimensional lanthanide-based coordination polymers
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              1882
_journal_paper_doi               10.1039/c2ce26940f
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C15 H29 O25 Tm2'
_chemical_formula_weight         947.24
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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
_cell_angle_alpha                85.5810(10)
_cell_angle_beta                 69.2090(10)
_cell_angle_gamma                63.7550(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2850(2)
_cell_length_b                   11.5717(3)
_cell_length_c                   13.5114(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1342.23(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            30939
_diffrn_reflns_theta_full        42.19
_diffrn_reflns_theta_max         42.19
_diffrn_reflns_theta_min         3.18
_exptl_absorpt_coefficient_mu    6.676
_exptl_crystal_density_diffrn    2.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             914
_refine_diff_density_max         7.397
_refine_diff_density_min         -6.231
_refine_diff_density_rms         0.313
_refine_ls_extinction_coef       0.0063(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.461
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         18620
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.461
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0465
_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^)+(0.0595P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1371
_refine_ls_wR_factor_ref         0.1447
_reflns_number_gt                15066
_reflns_number_total             18620
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26940f.txt
_cod_data_source_block           shelxl
_cod_database_code               7209235