Poly[[tris(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-<small>L</small>-lysinato-κ^3^<i>N</i>^1^,<i>O</i>^1^:<i>O</i>^1'^)dizinc(II)] tetranitrate 0.6-hydrate dimethylformamide disolvate]
Li, Shu-Qiang; Hu, Ning-Hai; Acta Crystallographica Section E 68 (2012) m633–m634; doi:10.1107/S1600536812016121

data_2234744
_publ_section_title
;
 Poly[[tris(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')bis(\m-<small>L</small>-lysinato-\k^3^<i>N</i>^1^,<i>O</i>^1^:<i>O</i>^1'^)dizinc(II)]
 tetranitrate 0.6-hydrate dimethylformamide disolvate]
;
_journal_coeditor_code           NK2149
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m633
_journal_page_last               m634
_journal_paper_doi               10.1107/S1600536812016121
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
;
[Zn2 (C6 H14 N2 O2)2 (C10 H8 N2)3] (N O3)4, 0.6H2 O, 2C3 H7 N O
;
_chemical_formula_moiety
'C42 H52 N10 O4 Zn2 4+, 4(N O3 -), 2(C3 H7 N O), 0.6(H2 O)'
_chemical_formula_sum            'C48 H67.2 N16 O18.6 Zn2'
_chemical_formula_weight         1296.76
_chemical_name_systematic
;
Poly[[tris(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')bis(\m-<i>L</i>-
lysinato-\k^3^<i>N</i>^1^,<i>O</i>^1^:<i>O</i>^1'^)dizinc(II)] tetranitrate
0.6-hydrate dimethylformamide disolvate]
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 93.1970(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.3039(4)
_cell_length_b                   24.9425(10)
_cell_length_c                   11.5740(4)
_cell_measurement_reflns_used    7390
_cell_measurement_temperature    187(2)
_cell_measurement_theta_max      25.98
_cell_measurement_theta_min      2.40
_cell_volume                     2969.95(19)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      187(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX CCD'
_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  0.0186
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16802
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.891
_exptl_absorpt_correction_T_max  0.8930
_exptl_absorpt_correction_T_min  0.8014
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.808
_refine_diff_density_min         -0.332
_refine_ls_abs_structure_details 'Flack (1983), 5102 Friedel pairs'
_refine_ls_abs_structure_Flack   0.003(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     820
_refine_ls_number_reflns         11087
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0664P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1067
_reflns_number_gt                10039
_reflns_number_total             11087
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            nk2149.cif
_cod_data_source_block           I
_cod_original_cell_volume        2970.0(2)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C48 H67.20 N16 O18.60 Zn2'
_cod_database_code               2234744
_cod_database_fobs_code          2234744