Structural diversity and magnetic properties in 1D and 2D azido-bridged cobalt(II) complexes with 1,2-bis(2-pyridyl)ethylene.
Boonmak, Jaursup; Nakano, Motohiro; Youngme, Sujittra; Dalton transactions (Cambridge, England : 2003) 40 (2011) 1254–1260; doi:10.1039/c0dt00853b

data_7014436
_publ_section_title
;
 Structural diversity and magnetic properties in 1D and 2D
 azido-bridged cobalt(II) complexes with 1,2-bis(2-pyridyl)ethylene.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1254
_journal_page_last               1260
_journal_paper_doi               10.1039/c0dt00853b
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C36 H34 Co3 N24 O2'
_chemical_formula_weight         1011.66
_chemical_name_common
;
diaqua hexaazido bis(1,2-bis(2-pyridyl)ethylene)
tricobalt(ii)(1,2-bis(2-pyridyl)ethylene)
;
_chemical_name_systematic
;
diaqua hexaazido bis(1,2-bis(2-pyridyl)ethylene)
tricobalt(II)(1,2-bis(2-pyridyl)ethylene)
;
_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                117.61(3)
_cell_angle_beta                 100.91(3)
_cell_angle_gamma                96.17(3)
_cell_formula_units_Z            1
_cell_length_a                   8.8038(18)
_cell_length_b                   11.541(2)
_cell_length_c                   12.422(3)
_cell_measurement_reflns_used    7187
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.09
_cell_volume                     1070.2(6)
_computing_cell_refinement       process-auto
_computing_data_collection       'process-auto(Rigaku, 1998)'
_computing_data_reduction        'CRYSTAL STRUCTURE (Rigaku/MSC, 2006)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type
;
Rigaku RAXIS-RAPID
;
_diffrn_measurement_method       '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  0.0501
_diffrn_reflns_av_sigmaI/netI    0.0651
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10327
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    1.215
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.687670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             515
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.920
_refine_diff_density_min         -1.743
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         4790
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.184
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0479
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0609P)^2^+1.6407P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1153
_refine_ls_wR_factor_ref         0.1560
_reflns_number_gt                3817
_reflns_number_total             4790
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT00853B.TXT
_cod_data_source_block           Cpd_1
_cod_original_cell_volume        1070.1(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7014436