<i>catena</i>-Poly[[diaqua(isonicotinato-<i>O</i>,<i>O</i>')europium(III)]-di-μ-isonicotinato-<i>O</i>:<i>O</i>']
Zeng, Xi-Rui; Xu, Yan; Xiong, Ren-Geng; Zhang, Li-Juan; You, Xiao-Zeng; Acta Crystallographica Section C 56 (2000) e325–e326; doi:10.1107/S0108270100009604

data_2011274
_publ_section_title
<i>catena</i>-Poly[[diaqua(isonicotinato-<i>O</i>,<i>O</i>')europium(III)]-di-\m-isonicotinato-<i>O</i>:<i>O</i>']
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e325
_journal_page_last               e326
_journal_paper_doi               10.1107/S0108270100009604
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Eu (C6 H4 O2)3 (H2 O)2]'
_chemical_formula_moiety         'C18 H16 Eu N3 O8'
_chemical_formula_sum            'C18 H16 Eu N3 O8'
_chemical_formula_weight         554.30
_chemical_name_systematic
;catena-poly[[[diaqua(isonicotinato-O,O')europium(III)]-di-\m-isonicotinato-O:O']
dihydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.48(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4860(19)
_cell_length_b                   18.974(4)
_cell_length_c                   10.759(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      6.87
_cell_measurement_theta_min      2.63
_cell_volume                     1934.7(7)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXTL (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  CAD-4
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .017
_diffrn_reflns_av_sigmaI/netI    .0214
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3615
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.295
_exptl_absorpt_correction_T_max  .452
_exptl_absorpt_correction_T_min  .348
_exptl_absorpt_correction_type   'empirical from \y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          .32
_exptl_crystal_size_mid          .26
_exptl_crystal_size_min          .24
_refine_diff_density_max         .729
_refine_diff_density_min         -2.005
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3402
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          .030
_refine_ls_R_factor_gt           .025
_refine_ls_shift/su_max          .002
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0460P)^2^+1.4090P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .070
_reflns_number_gt                3060
_reflns_number_total             3402
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0360.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2011274
_cod_database_fobs_code          2011274