({-})-Sparteine Copper(II) Dinitrite
Lee, Yong-Min; Choi, Sung-Nak; Suh, Il-Hwan; Bereman, Robert D.; Acta Crystallographica Section C 54 (1998) 1582–1584; doi:10.1107/S0108270198005617

data_2007869
_publ_section_title
;
 ({-})-Sparteine Copper(II) Dinitrite
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1582
_journal_page_last               1584
_journal_paper_doi               10.1107/S0108270198005617
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          'Cu (N O2)2 (C15 H26 N2)'
_chemical_formula_moiety         'C15 H26 N4 O4 Cu'
_chemical_formula_sum            'C15 H26 Cu N4 O4'
_chemical_formula_weight         389.94
_chemical_name_systematic
;
{1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14-methano-2H,6H-dipyrido
[1,2-a:1',2'-e][1,5]diazocine-N,N'}dinitrito-O;O,O'-copper(II)
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.288(12)
_cell_length_b                   17.557(14)
_cell_length_c                   7.960(15)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      13.61
_cell_measurement_theta_min      11.29
_cell_volume                     1717(4)
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2839
_diffrn_reflns_theta_max         29.97
_diffrn_standards_decay_%        0.8
_diffrn_standards_interval_time  240
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.299
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Cube
_exptl_crystal_F_000             820
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.342
_refine_diff_density_min         -0.298
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   0.05(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.203
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     217
_refine_ls_number_reflns         2839
_refine_ls_R_factor_gt           0.057
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef F^2^
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.03P)^2^+0.50P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.084
_reflns_number_gt                1445
_reflns_number_total             2839
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            ta1191.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1717.3(4)
_cod_original_formula_sum        'C15 H26 N4 O4 Cu1'
_cod_database_code               2007869