Bis(μ-2'-carboxylatobiphenyl-2-carboxylic acid-κ^2^<i>O</i>^2^:<i>O</i>^2'^)bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2'-carboxylatobiphenyl-2-carboxylic acid-κ<i>O</i>^2'^)zinc(II)]
An, Zhe; Acta Crystallographica Section E 65 (2009) m1501–; doi:10.1107/S1600536809045541

data_2224308
_publ_section_title
;Bis(\m-2'-carboxylatobiphenyl-2-carboxylic
 acid-\k^2^<i>O</i>^2^:<i>O</i>^2'^)bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')(2'-carboxylatobiphenyl-2-carboxylic
 acid-\k<i>O</i>^2'^)zinc(II)]
;
_journal_coeditor_code           IM2149
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1501
_journal_paper_doi               10.1107/S1600536809045541
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Zn2 (C14 H9 O4)4 (C10 H8 N2)2]'
_chemical_formula_moiety         'C76 H52 N4 O16 Zn2'
_chemical_formula_sum            'C76 H52 N4 O16 Zn2'
_chemical_formula_weight         1407.96
_chemical_name_systematic
;
Bis(\m-2'-carboxylatobiphenyl-2-carboxylic
acid-\k^2^<i>O</i>^2^:<i>O</i>^2'^)bis[(2,2'-bipyridine-
\k^2^<i>N</i>,<i>N</i>')(2'-carboxylatobiphenyl-2-carboxylic
acid-\k<i>O</i>^2'^)zinc(II)]
;
_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                103.0940(10)
_cell_angle_beta                 112.7730(10)
_cell_angle_gamma                92.6800(10)
_cell_formula_units_Z            1
_cell_length_a                   10.8745(4)
_cell_length_b                   11.6465(4)
_cell_length_c                   14.0223(5)
_cell_measurement_reflns_used    6287
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.16
_cell_measurement_theta_min      2.53
_cell_volume                     1576.93(10)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'SMART (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0144
_diffrn_reflns_av_sigmaI/netI    0.0203
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10807
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.839
_exptl_absorpt_correction_T_max  0.9359
_exptl_absorpt_correction_T_min  0.9061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            translucent
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             724
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.287
_refine_diff_density_min         -0.246
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         5332
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0268
_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^)+(0.08P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.0977
_reflns_number_gt                4820
_reflns_number_total             5332
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            im2149.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1576.90(10)
_cod_database_code               2224308
_cod_database_fobs_code          2224308