Poly[[tris(μ~2~-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)hexanitratodieuropium(III)] dichloromethane disolvate]
Dillner, Adam J.; Lilly, Cassandra P.; Knaust, Jacqueline M.; Acta Crystallographica Section E 66 (2010) m1156–m1157; doi:10.1107/S1600536810033246

data_2228161
_publ_section_title
;
 Poly[[tris(\m~2~-4,4'-bipyridine
 <i>N</i>,<i>N</i>'-dioxide)hexanitratodieuropium(III)] dichloromethane
 disolvate]
;
_journal_coeditor_code           ZL2302
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1156
_journal_page_last               m1157
_journal_paper_doi               10.1107/S1600536810033246
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Eu2 (N O3)6 (C10 H8 N2 O2)3], 2C H2 Cl2'
_chemical_formula_moiety         'C30 H24 N12 O24 Eu2, 2C H2 Cl2'
_chemical_formula_sum            'C32 H28 Cl4 Eu2 N12 O24'
_chemical_formula_weight         1410.38
_chemical_name_systematic
;
poly[[tris(\m~2~-4,4'-bipyridine
<i>N</i>,<i>N</i>'-dioxide)hexanitratodieuropium(III)] dichloromethane
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           SHELXL-97
_cell_angle_alpha                86.0130(10)
_cell_angle_beta                 80.2550(10)
_cell_angle_gamma                78.3920(10)
_cell_formula_units_Z            1
_cell_length_a                   7.9841(5)
_cell_length_b                   11.5723(7)
_cell_length_c                   13.0522(8)
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.41
_cell_measurement_theta_min      2.35
_cell_volume                     1163.45(12)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'X-SEED (Barbour, 2001)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\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  0.0147
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13873
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.53
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    3.001
_exptl_absorpt_correction_T_max  0.383
_exptl_absorpt_correction_T_min  0.278
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             690
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.32
_refine_diff_density_max         1.299
_refine_diff_density_min         -0.899
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         7017
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0196
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0274P)^2^+0.6833P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0492
_refine_ls_wR_factor_ref         0.0498
_reflns_number_gt                6748
_reflns_number_total             7017
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zl2302.cif
_cod_data_source_block           I
_cod_database_code               2228161
_cod_database_fobs_code          2228161