Coexisting covalent and non-covalent planar networks in the crystal structures of {[M(bipy)2(NO3)2]·arene}n (M = Ni, 1; Co, 2; arene = chlorobenzene, o-dichlorobenzene, benzene, nitrobenzene, toluene or anisole) †
Biradha, Kumar; Mondal, Arunendu; Moulton, Brian; Zaworotko, Michael J.; Journal of the Chemical Society, Dalton Transactions  (2000) 3837–; doi:10.1039/b003733h

data_7009805
_publ_section_title
;
 Coexisting covalent and non-covalent planar networks in the crystal
 structures of {[M(bipy)2(NO3)2]&#x00B7;arene}n (M&#x2005;=&#x2005;Ni,
 1; Co, 2; arene&#x2005;=&#x2005;chlorobenzene, o-dichlorobenzene,
 benzene, nitrobenzene, toluene or anisole)&#x200A;&#x2020;
;
_journal_issue                   21
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3837
_journal_paper_doi               10.1039/b003733h
_journal_year                    2000
_chemical_formula_moiety         'Co Cl4 N6 O6 C54 H24 '
_chemical_formula_sum            'C54 H24 Cl4 Co N6 O6'
_chemical_formula_weight         1053.55
_chemical_name_common            2-2PhCl2
_chemical_name_systematic        ?
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 102.6680
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   21.6458(13)
_cell_length_b                   11.5193(7)
_cell_length_c                   13.3717(8)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      20.00
_cell_volume                     3253.0(3)
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       'Omega scan b/P/b        '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8972
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    0.94
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    2.151
_exptl_crystal_F_000             2136.11
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.89
_refine_diff_density_min         -0.88
_refine_ls_goodness_of_fit_obs   3.94
_refine_ls_matrix_type           atomblock
_refine_ls_number_parameters     224
_refine_ls_number_reflns         3037
_refine_ls_R_factor_all          0.062
_refine_ls_R_factor_obs          0.062
_refine_ls_shift/esd_max         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0002F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.089
_refine_ls_wR_factor_obs         0.089
_reflns_number_observed          3036
_reflns_number_total             3547
_reflns_observed_criterion       'Inet > 3.0\s(Inet)'
_cod_data_source_file            b003733h.txt
_cod_data_source_block           2-2PhCl2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 27 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0002F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/(\s^2^(F)+0.0002F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Co Cl4 N6 O6 C54 H24 '
_cod_database_code               7009805