Crystal structure of poly[[di-μ<sub>3</sub>-acetato-tetra-aqua-bis-(μ<sub>2</sub>-cyclo-hexane-1,4-di-carboxyl-ato)dilanth-an-um(III)] dihydrate].
Drisya, R.; Mol, U. S. Soumya; Chandran, P. R. Satheesh; Sithambaresan, M.; Sudarsankumar, M. R.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1926–1930; doi:10.1107/S2056989017016103

data_2311524
_publ_section_title
;
 Crystal structure of
 poly[[di-\m<sub>3</sub>-acetato-tetra-aqua-bis-(\m<sub>2</sub>-cyclo-hexane-1,4-di-carboxyl-ato)dilanth-an-um(III)]
 dihydrate].
;
_journal_coeditor_code           VN2132
_journal_issue                   'Pt 12'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1926
_journal_page_last               1930
_journal_paper_doi               10.1107/S2056989017016103
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac
'[La2 (C2 H3 O2)2 (C8 H10 O4)2 (H2 O)4], 2H2 O'
_chemical_formula_moiety         'C20 H34 La2 O16, 2(H2 O)'
_chemical_formula_sum            'C20 H38 La2 O18'
_chemical_formula_weight         844.32
_chemical_name_systematic
'Poly[[di-\m~3~-acetato-tetraaquabis(\m~2~-cyclohexane-1,4-dicarboxylato)dilanthanum(III)] dihydrate]'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                110.217(5)
_cell_angle_beta                 91.060(5)
_cell_angle_gamma                93.280(5)
_cell_formula_units_Z            1
_cell_length_a                   6.9341(8)
_cell_length_b                   8.9597(13)
_cell_length_c                   12.3030(16)
_cell_measurement_reflns_used    7100
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.9
_cell_measurement_theta_min      2.8
_cell_volume                     715.49(16)
_computing_cell_refinement
;
APEX2 and SAINT (Bruker, 2004)
;
_computing_data_collection
;
APEX2 (Bruker, 2004)
;
_computing_data_reduction
;
SAINT and XPREP (Bruker, 2004)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2010)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015) and publCIF (Westrip, 2010)'
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR92 (Sheldrick, 2015)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2818
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.428
_exptl_absorpt_coefficient_mu    3.024
_exptl_absorpt_correction_T_max  0.74
_exptl_absorpt_correction_T_min  0.60
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2004)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.960
_exptl_crystal_description       block
_exptl_crystal_F_000             416
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         2.172
_refine_diff_density_min         -2.457
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         2818
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0821P)^2^+6.1459P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1455
_reflns_number_gt                2447
_reflns_number_total             2815
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            vn2132sup1.cif
_cod_data_source_block           I
_cod_database_code               2311524
_shelx_estimated_absorpt_t_min   0.583
_shelx_estimated_absorpt_t_max   0.660
_shelx_hkl_checksum              77850
_shelx_res_checksum              11949