The 7,7,8,8-Tetracyanoquinodimethane Salt of (<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II), [Ni(<i>C</i>-<i>meso</i>-Me~6~[14]aneN~4~)](TCNQ)~2~
Muñoz, M. C.; Cano, J.; Ruiz, R.; Lloret, F.; Faus, J.; Acta Crystallographica Section C 51 (1995) 873–876; doi:10.1107/S0108270194010401

data_2003487
_publ_section_title
;The 7,7,8,8-Tetracyanoquinodimethane Salt of
 (<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II),
 [Ni(<i>C</i>-<i>meso</i>-Me~6~[14]aneN~4~)](TCNQ)~2~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              873
_journal_page_last               876
_journal_paper_doi               10.1107/S0108270194010401
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C40 H44 N12 Ni1'
_chemical_formula_sum            'C40 H44 N12 Ni'
_chemical_formula_weight         751.59
_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_type_scat_source           IntTabIV
_cell_angle_alpha                80.28(1)
_cell_angle_beta                 76.36(3)
_cell_angle_gamma                68.73(1)
_cell_formula_units_Z            1
_cell_length_a                   8.186(1)
_cell_length_b                   11.107(1)
_cell_length_c                   11.515(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     944.1(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3445
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.550
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.94
_exptl_absorpt_correction_type   'empirical (\y scan)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_description       orthorhombic
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.62
_refine_ls_goodness_of_fit_obs   1.7
_refine_ls_hydrogen_treatment    'Riding model for H atoms'
_refine_ls_number_parameters     242
_refine_ls_number_reflns         2471
_refine_ls_R_factor_obs          0.042
_refine_ls_shift/esd_max         0.1
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.042
_reflns_number_observed          2471
_reflns_number_total             2501
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            na1102.cif
_cod_data_source_block           na1102a
_cod_original_cell_volume        944.1(3)
_cod_original_formula_sum        'C40 H44 N12 Ni1'
_cod_database_code               2003487