Bis[μ-3-(2-hydroxyphenyl)propenoato]bis{aqua(4,4'-bipyridine)bis[3-(2-hydroxyphenyl)propenoato]yttrium(III)} 4,4'-bipyridine disolvate
Zhang, Chun-Yan; Fu, Jun-Dan; Wen, Yi-Hang; Acta Crystallographica Section E 66 (2010) m1519–; doi:10.1107/S1600536810044831

data_2228297
_publ_section_title
;
 Bis[\m-3-(2-hydroxyphenyl)propenoato]bis{aqua(4,4'-bipyridine)bis[3-(2-hydroxyphenyl)propenoato]yttrium(III)}
 4,4'-bipyridine disolvate
;
_journal_coeditor_code           DS2064
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1519
_journal_paper_doi               10.1107/S1600536810044831
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Y2 (C9 H7 O3)6 (C10 H8 N2)2 (H2 O)2] , 2C10 H8 N2'
_chemical_formula_moiety         'C74 H62 N4 O20 Y2, 2(C10 H8 N2)'
_chemical_formula_sum            'C94 H78 N8 O20 Y2'
_chemical_formula_weight         1817.46
_chemical_name_systematic
;
Bis[\m-3-(2-hydroxyphenyl)propenoato]bis{aqua(4,4'-bipyridine)bis[3-(2-
hydroxyphenyl)propenoato]yttrium(III)} 4,4'-bipyridine disolvate
;
_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           SHELXL97
_cell_angle_alpha                77.561(3)
_cell_angle_beta                 88.850(3)
_cell_angle_gamma                82.283(3)
_cell_formula_units_Z            1
_cell_length_a                   11.8464(7)
_cell_length_b                   13.5272(8)
_cell_length_c                   13.7350(8)
_cell_measurement_reflns_used    7095
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      1.52
_cell_volume                     2129.8(2)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0409
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            32270
_diffrn_reflns_theta_full        27.65
_diffrn_reflns_theta_max         27.65
_diffrn_reflns_theta_min         1.52
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.434
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_correction_T_min  0.77
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.238
_refine_diff_density_min         -0.433
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         9803
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_gt           0.0393
_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^)+(0.0384P)^2^+0.3503P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0792
_refine_ls_wR_factor_ref         0.0872
_reflns_number_gt                7446
_reflns_number_total             9803
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ds2064.cif
_cod_data_source_block           I
_cod_database_code               2228297
_cod_database_fobs_code          2228297