[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>R</i>)-(‒)-α-Isosparteine-κ^2^<i>N</i>,<i>N</i>']bis(nitrito-κ^2^<i>O</i>,<i>O</i>')copper(II)
Shim, Yoon-Bo; Choi, Sung-Nak; Lee, Seung Jae; Kang, Sung Kwon; Lee, Yong-Min; Acta Crystallographica Section E 60 (2004) m1573–m1575; doi:10.1107/S1600536804024249

data_2204563
_publ_section_title
'[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>R</i>)-(--)-\a-Isosparteine-\k^2^<i>N</i>,<i>N</i>']bis(nitrito-\k^2^<i>O</i>,<i>O</i>')copper(II)'
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1573
_journal_page_last               m1575
_journal_paper_doi               10.1107/S1600536804024249
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu (N O2)2 (C15 H26 N2)]'
_chemical_formula_moiety         'C15 H26 Cu N4 O4'
_chemical_formula_sum            'C15 H26 Cu N4 O4'
_chemical_formula_weight         389.94
_chemical_name_common            '(-)-\a-isosparteine copper(II) dinitrite'
_chemical_name_systematic
'[(6R,7S,8S,14R)-(-)-\a-Isosparteine-\k^2^N,N']bis(nitrito-\k^2^O,O')copper(II)'
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.2446(5)
_cell_length_b                   8.2446(5)
_cell_length_c                   25.088(4)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.1
_cell_measurement_theta_min      11.44
_cell_volume                     1705.3(3)
_computing_cell_refinement       'CAD-4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD-4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       'non-profiled \w/2\q'
_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  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0702
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4231
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.60
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.308
_exptl_absorpt_correction_T_max  0.7302
_exptl_absorpt_correction_T_min  0.6215
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             820
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.439
_refine_diff_density_min         -0.230
_refine_ls_abs_structure_details 'Flack (1983), 737 Friedel pairs'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     120
_refine_ls_number_reflns         1956
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0297P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0748
_refine_ls_wR_factor_ref         0.0827
_reflns_number_gt                1445
_reflns_number_total             1956
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz6006.cif
_cod_data_source_block           I
_cod_database_code               2204563
_cod_database_fobs_code          2204563