Cu(NO3)2·3H2O-Mediated Synthesis of 4‘-(2-Pyridyl)-2,2‘:6‘,2‘ ‘-terpyridine (L2) fromN-(2-Pyridylmethyl)pyridine-2-methylketimine (L1). A C−C Bond-Forming Reaction and the Structure of {[Cu(L2)(OH)(NO3)][Cu(L2)(NO3)2]}·2H2O†
Padhi, Sumanta Kumar; Manivannan, Vadivelu; Inorganic Chemistry 45 (2006) 7994–7996; doi:10.1021/ic060968h

data_4332856
_publ_section_title
;
 Cu(NO3)2&#x00B7;3H2O-Mediated Synthesis of
 4&#x2018;-(2-Pyridyl)-2,2&#x2018;:6&#x2018;,2&#x2018;&#x00A0;&#x2018;-terpyridine
 (L2) fromN-(2-Pyridylmethyl)pyridine-2-methylketimine (L1). A C&#x2212;C
 Bond-Forming Reaction and the Structure of
 {[Cu(L2)(OH)(NO3)][Cu(L2)(NO3)2]}&#x00B7;2H2O&#x2020;
;
_journal_issue                   20
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7994
_journal_page_last               7996
_journal_paper_doi               10.1021/ic060968h
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C14 H15 Cu N3 O6'
_chemical_formula_weight         384.66
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           1
_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                74.598(2)
_cell_angle_beta                 84.827(2)
_cell_angle_gamma                80.993(2)
_cell_formula_units_Z            2
_cell_length_a                   7.3994(2)
_cell_length_b                   8.6119(3)
_cell_length_c                   13.0072(4)
_cell_measurement_reflns_used    8346
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.48
_cell_volume                     788.21(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.936
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10863
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    1.406
_exptl_absorpt_correction_T_max  0.732
_exptl_absorpt_correction_T_min  0.654
_exptl_absorpt_correction_type   refdelf
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_density_meas      1.35
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             362
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.310
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.062
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.35(2)
_refine_ls_extinction_coef       0.0008(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         6083
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0274
_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^)+(0.0464P)^2^+0.1812P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0768
_reflns_number_gt                5655
_reflns_number_total             6083
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060968hsup2.cif
_cod_data_source_block           vm2
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P1
_cod_database_code               4332856