Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')terbate(III)
Gao, Guo-Ran; Man, Hong-Xue; Xiao, Zhi-Chang; Deng, Yu-Heng; Acta Crystallographica Section E 67 (2011) m787–m788; doi:10.1107/S160053681101837X

data_2230309
_publ_section_title
;
 Chloridobis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)
 tetrakis(nitrato-\k^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')terbate(III)
;
_journal_coeditor_code           FJ2415
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m787
_journal_page_last               m788
_journal_paper_doi               10.1107/S160053681101837X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Cu Cl (C12 H8 N2)2] [Tb (N O3)4 (C12 H8 N2)]'
_chemical_formula_moiety         'C24 H16 Cl Cu N4 +, C12 H8 N6 O12 Tb -'
_chemical_formula_sum            'C36 H24 Cl Cu N10 O12 Tb'
_chemical_formula_weight         1046.56
_chemical_name_systematic
;
Chloridobis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)
tetrakis(nitrato-\k^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-
\k^2^<i>N</i>,<i>N</i>')terbate(III)
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_cell_angle_alpha                81.1030(10)
_cell_angle_beta                 75.6310(10)
_cell_angle_gamma                84.4650(10)
_cell_formula_units_Z            2
_cell_length_a                   10.15560(10)
_cell_length_b                   13.4799(2)
_cell_length_c                   14.7710(2)
_cell_measurement_reflns_used    5578
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.44
_cell_measurement_theta_min      2.65
_cell_volume                     1931.71(4)
_computing_cell_refinement
'<i>APEX2</i> and <i>SAINT</i>  (Bruker, 2007)'
_computing_data_collection       '<i>APEX2</i>  (Bruker, 2007)'
_computing_data_reduction        '<i>SAINT</i>  (Bruker, 2007)'
_computing_molecular_graphics    '<i>Mercury</i> (Macrae <i>et al.</i>, 2006)'
_computing_publication_material  '<i>SHELXTL</i> (Sheldrick, 2008)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Brucker SMART APEX CCD'
_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  0.0397
_diffrn_reflns_av_sigmaI/netI    0.0468
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25145
_diffrn_reflns_theta_full        27.91
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    2.513
_exptl_absorpt_correction_T_max  0.7525
_exptl_absorpt_correction_T_min  0.6204
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2007)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1034
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.439
_refine_diff_density_min         -0.749
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         8895
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0568
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0324P)^2^+0.0379P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0700
_refine_ls_wR_factor_ref         0.0779
_reflns_number_gt                6625
_reflns_number_total             8895
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fj2415.cif
_cod_data_source_block           I
_cod_database_code               2230309
_cod_database_fobs_code          2230309