Di-μ-methacrylato-κ^4^<i>O</i>:<i>O</i>'-bis[aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] dinitrate dihydrate
Tarafder, M. T. H.; Reza, M. Y.; Crouse, K. A.; Chantrapromma, Suchada; Fun, Hoong-Kun; Acta Crystallographica Section E 64 (2008) m872–m873; doi:10.1107/S1600536808016218

data_2218643
_publ_section_title
;Di-\m-methacrylato-\k^4^<i>O</i>:<i>O</i>'-bis[aquabis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)]
 dinitrate dihydrate
;
_journal_coeditor_code           CI2604
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m872
_journal_page_last               m873
_journal_paper_doi               10.1107/S1600536808016218
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Cu2 (C4 H5 O2)2 (C12 H8 N2)2 (H2 O)2] (N O3)2 , 2H2 O'
_chemical_formula_moiety         'C32 H30 Cu2 N4 O6 2+ , 2N O3 - , 2H2 O'
_chemical_formula_sum            'C32 H34 Cu2 N6 O14'
_chemical_formula_weight         853.75
_chemical_melting_point          494
_chemical_name_common
;
Bis(\m-methacrylato-O,O')-diaquobis(1,10-phenanthroline) dicopper(II)
dinitrates dihydrates
;
_chemical_name_systematic
;
Di-\m-methacrylato-\k^4^O:O'-bis[aquabis(1,10-phenanthroline-
\k^2^N,N')copper(II)] dinitrate 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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.1306(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6146(2)
_cell_length_b                   15.7322(2)
_cell_length_c                   16.4463(2)
_cell_measurement_reflns_used    10036
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      1.53
_cell_volume                     3443.94(8)
_computing_cell_refinement       'APEX2 (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2003)
;
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_diffrn_measurement_method       \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  0.0694
_diffrn_reflns_av_sigmaI/netI    0.0710
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            43546
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.53
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.315
_exptl_absorpt_correction_T_max  0.8221
_exptl_absorpt_correction_T_min  0.7162
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.678
_refine_diff_density_min         -0.783
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         10036
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0473
_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^)+(0.0457P)^2^+1.7397P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1000
_refine_ls_wR_factor_ref         0.1132
_reflns_number_gt                6885
_reflns_number_total             10036
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2604.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2218643
_cod_database_fobs_code          2218643