Bis(2,2'-bipyridine)-1κ^2^<i>N</i>:<i>N</i>';3κ^2^<i>N</i>:<i>N</i>'-hexakis(μ-α-methylacrylato)-1:2κ^6^<i>O</i>:<i>O</i>';2:3κ^6^<i>O</i>:<i>O</i>'-nitrato-2κ^2^<i>O</i>:<i>O</i>'-dizinc(II)neodymium(III)
Yue Zhu; Weimin Lu; Meng Ma; Fang Chen; Acta Crystallographica Section E 61 (2005) m1610–m1612; doi:10.1107/S1600536805022841

data_2206611
_publ_section_title
Bis(2,2'-bipyridine)-1\k^2^<i>N</i>:<i>N</i>';3\k^2^<i>N</i>:<i>N</i>'-hexakis(\m-\a-methylacrylato)-1:2\k^6^<i>O</i>:<i>O</i>';2:3\k^6^<i>O</i>:<i>O</i>'-nitrato-2\k^2^<i>O</i>:<i>O</i>'-dizinc(II)neodymium(III)
_journal_coeditor_code           YA6253
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1610
_journal_page_last               m1612
_journal_paper_doi               10.1107/S1600536805022841
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Nd Zn2 (C4 H5 O2)6 (N O3) (C10 H8 N2)2]'
_chemical_formula_moiety         'C44 H46 N5 Nd O15 Zn2'
_chemical_formula_sum            'C44 H46 N5 Nd O15 Zn2'
_chemical_formula_weight         1159.84
_chemical_name_systematic
;
Bis(2,2'-bipyridine)-1k^2^N:N';3k^2^N:N'-hexakis(\m-\a-methylacrylato)-
1:2k^6^O:O';2:3k^6^O:O'-nitrato-2k^2^O:O'-dizinc(II)neodymium(III)
;
_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                103.903(4)
_cell_angle_beta                 99.490(4)
_cell_angle_gamma                100.168(5)
_cell_formula_units_Z            2
_cell_length_a                   11.3751(9)
_cell_length_b                   13.7258(8)
_cell_length_c                   16.4798(11)
_cell_measurement_reflns_used    8348
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     2399.9(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_av_sigmaI/netI    0.031
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18091
_diffrn_reflns_theta_full        25.1
_diffrn_reflns_theta_max         25.1
_diffrn_reflns_theta_min         1.3
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.13
_exptl_absorpt_correction_T_max  0.675
_exptl_absorpt_correction_T_min  0.568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             1170
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.77
_refine_ls_extinction_coef       0.0053(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.01
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         8421
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.01
_refine_ls_R_factor_all          0.053
_refine_ls_R_factor_gt           0.039
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0658P)^2^+3.3948P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.097
_refine_ls_wR_factor_ref         0.111
_reflns_number_gt                7077
_reflns_number_total             8421
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya6253.cif
_cod_data_source_block           I
_cod_database_code               2206611
_cod_database_fobs_code          2206611