Tetrakis[μ-3-(3-pyridyl)acrylato-κ^2^<i>O</i>:<i>O</i>']bis{(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')[3-(3-pyridyl)acrylato-κ^2^<i>O</i>,<i>O</i>']europium(III)} pentahydrate
Chong-Bo Liu; Hui-Liang Wen; Fan Deng; Jun-Hui Zuo; Acta Crystallographica Section E 64 (2008) m201–m201; doi:10.1107/S1600536807066263

data_2217007
_publ_section_title
;Tetrakis[\m-3-(3-pyridyl)acrylato-\k^2^<i>O</i>:<i>O</i>']bis{(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')[3-(3-pyridyl)acrylato-\k^2^<i>O</i>,<i>O</i>']europium(III)}
 pentahydrate
;
_journal_coeditor_code           DN2276
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m201
_journal_page_last               m201
_journal_paper_doi               10.1107/S1600536807066263
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Eu2 (C8 H6 N O2)6 (C12 H8 N2)2], 5H2 O'
_chemical_formula_moiety         'C72 H52 Eu2 N10 O12, 4(H2 O), H2 O'
_chemical_formula_sum            'C72 H62 Eu2 N10 O17'
_chemical_formula_weight         1643.24
_chemical_name_systematic
;
tetrakis[\m-3-(3-pyridyl)acrylato-\k^2^O:O']bis{(1,10-phenanthroline-
\k^2^N,N')[3-(3-pyridyl)acrylato-\k^2^O,O']europium(III)] pentahydrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.330(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.434(2)
_cell_length_b                   12.320(10)
_cell_length_c                   22.595(19)
_cell_measurement_reflns_used    7048
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.07
_cell_measurement_theta_min      2.66
_cell_volume                     6965(8)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics
'ORTEPIII (Burnett & Johnson, 1996)and ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0186
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            25928
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    1.862
_exptl_absorpt_correction_T_max  0.7912
_exptl_absorpt_correction_T_min  0.5847
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3304
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.343
_refine_diff_density_min         -0.251
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6480
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0188
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0183P)^2^+8.1685P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0420
_refine_ls_wR_factor_ref         0.0443
_reflns_number_gt                5721
_reflns_number_total             6480
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2276.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_cell_volume        6965.4(10)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2217007
_cod_database_fobs_code          2217007