Bis[bis(methoxycarbimido)amine-κ^2^<i>N</i>,<i>N</i>']bis(perchlorato-κ<i>O</i>)copper(II) bis[bis(methoxycarbimido)amine-κ^2^<i>N</i>,<i>N</i>']bis(methanol-κ<i>O</i>)copper(II) bis(perchlorate) methanol disolvate
Liu, Guang-Fei; Li, Lin-Lin; Zhang,Yong; Lang, Jian-Ping; Ng, Seik Weng; Acta Crystallographica Section C 63 (2007) m1–m3; doi:10.1107/S0108270106043265

data_2015738
_publ_section_title
;Bis[bis(methoxycarbimido)amine-\k^2^<i>N</i>,<i>N</i>']bis(perchlorato-\k<i>O</i>)copper(II)
 bis[bis(methoxycarbimido)amine-\k^2^<i>N</i>,<i>N</i>']bis(methanol-\k<i>O</i>)copper(II)
 bis(perchlorate) methanol disolvate
;
_journal_coeditor_code           GG3051
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m1
_journal_page_last               m3
_journal_paper_doi               10.1107/S0108270106043265
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cu (C4 H9 N3 O2)2 (C H4 O)2] [Cu (Cl O4)2 (C4 H9 N3 O2)2] (Cl O4)2, 2C H4 O'
_chemical_formula_moiety
;
C10 H26 Cu N6 O6 2+, C8 H18 Cl2 Cu N6 O12, 2Cl O4 -, 2C H4 O
;
_chemical_formula_sum            'C20 H52 Cl4 Cu2 N12 O28'
_chemical_formula_weight         1177.64
_chemical_name_systematic
;
Bis[bis(methoxycarbimido)amine-\k^2^N,N']bis(perchlorato-\kO)copper(II)
bis[bis(methoxycarbimido)amine-\k^2^N,N']bis(methanol-\kO)copper(II)
bis(perchlorate) methanol disolvate
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                85.06(3)
_cell_angle_beta                 89.91(3)
_cell_angle_gamma                80.20(3)
_cell_formula_units_Z            1
_cell_length_a                   7.444(2)
_cell_length_b                   10.067(2)
_cell_length_c                   15.330(3)
_cell_measurement_reflns_used    4658
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     1127.7(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2001)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \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  0.017
_diffrn_reflns_av_sigmaI/netI    0.020
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10868
_diffrn_reflns_theta_full        25.3
_diffrn_reflns_theta_max         25.3
_diffrn_reflns_theta_min         3.1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.284
_exptl_absorpt_correction_T_max  0.731
_exptl_absorpt_correction_T_min  0.684
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             606
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.72
_refine_diff_density_min         -0.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         4082
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.029
_refine_ls_R_factor_gt           0.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0482P)^2^+0.6301P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.074
_refine_ls_wR_factor_ref         0.076
_reflns_number_gt                3857
_reflns_number_total             4082
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg3051.cif
_cod_data_source_block           I
_cod_database_code               2015738
_cod_database_fobs_code          2015738