Unprecedented Low Cu-N(azide)-Cu Angles in End-On Double Azido Bridged Copper(II) Complex
Subratanath Koner; Sandip Saha; Tallal Mallah; Ken-Ichi Okamoto; Inorganic Chemistry 43 (2004) 840–842; doi:10.1021/ic034347p

data_4310499
_publ_section_title
;
 Unprecedented Low Cu-N(azide)-Cu Angles in End-On Double Azido Bridged
 Copper(II) Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              840
_journal_page_last               842
_journal_paper_doi               10.1021/ic034347p
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C9 H11 Cu N5 O '
_chemical_formula_sum            'C9 H11 Cu N5 O'
_chemical_formula_weight         268.76
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.37(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.855(2)
_cell_length_b                   12.647(4)
_cell_length_c                   5.9688(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      11.5
_cell_volume                     1109.4(4)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9984
_diffrn_measured_fraction_theta_max 0.9984
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       2
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            2960
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_standards_decay_%        3.64
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.955
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.790
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.560
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.340
_refine_diff_density_max         0.26
_refine_diff_density_min         -0.27
_refine_ls_extinction_coef       0.011(3)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.178
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     146
_refine_ls_number_reflns         2558
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.0008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.06000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1251
_reflns_number_gt                1923
_reflns_number_total             2558
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic034347psi20030331_123010.cif
_cod_data_source_block           Cu_complex_(Koner)
_cod_original_formula_sum        'C9 H11 Cu N5 O '
_cod_database_code               4310499