Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis{(azido-κ<i>N</i>)[<i>N</i>,<i>N</i>-bis(2-pyridylmethyl-κ<i>N</i>)ethylamine]manganese(II)}
Jing Qian; Wu Gu; Shi-Ping Yan; Dai-Zheng Liao; Peng Cheng; Acta Crystallographica Section E 63 (2007) m687–m688; doi:10.1107/S1600536807005405

data_2212463
_publ_section_title
Di-\m-azido-\k^4^<i>N</i>:<i>N</i>-bis{(azido-\k<i>N</i>)[<i>N</i>,<i>N</i>-bis(2-pyridylmethyl-\k<i>N</i>)ethylamine]manganese(II)}
_journal_coeditor_code           BI2156
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m687
_journal_page_last               m688
_journal_paper_doi               10.1107/S1600536807005405
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Mn2 (N3)4 (C14 H17 N3)2]'
_chemical_formula_moiety         'C28 H34 Mn2 N18'
_chemical_formula_sum            'C28 H34 Mn2 N18'
_chemical_formula_weight         732.61
_chemical_name_common            '[Mn2(bpea)2(\m2-N3)2(N3)2]'
_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
_cell_angle_alpha                74.254(2)
_cell_angle_beta                 76.212(2)
_cell_angle_gamma                75.797(3)
_cell_formula_units_Z            1
_cell_length_a                   8.8943(18)
_cell_length_b                   9.1784(19)
_cell_length_c                   10.963(2)
_cell_measurement_reflns_used    3298
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.80
_cell_measurement_theta_min      2.70
_cell_volume                     820.8(3)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART CCD'
_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  0.0104
_diffrn_reflns_av_sigmaI/netI    0.0168
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4422
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.96
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.821
_exptl_absorpt_correction_T_max  0.891
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             378
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.363
_refine_diff_density_min         -0.235
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         2851
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0262
_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^)+(0.0298P)^2^+0.423P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0682
_refine_ls_wR_factor_ref         0.0694
_reflns_number_gt                2627
_reflns_number_total             2851
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2156.cif
_cod_data_source_block           I
_cod_database_code               2212463
_cod_database_fobs_code          2212463