Di-μ-iodo-bis({2-[(diphenylphosphoryl)methylamino]-7-methyl-1,8-naphthyridine-κ<i>N</i>^8^}copper(I)) dichloromethane solvate
Zhang, Jun-Feng; Yu, Ming-Ming; Chen, Yong; Ou, Xue-Mei; Fu, Wen-Fu; Acta Crystallographica Section E 62 (2006) m2758–m2760; doi:10.1107/S1600536806039018

data_2210512
_publ_section_title
;Di-\m-iodo-bis({2-[(diphenylphosphoryl)methylamino]-7-methyl-1,8-naphthyridine-\k<i>N</i>^8^}copper(I))
 dichloromethane solvate
;
_journal_coeditor_code           BI2070
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2758
_journal_page_last               m2760
_journal_paper_doi               10.1107/S1600536806039018
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu2 I2 (C22 H20 N3 O P)2] , C H2 Cl2'
_chemical_formula_moiety         'C44 H40 Cu2 I2 N6 O2 P2 , C H2 Cl2'
_chemical_formula_sum            'C45 H42 Cl2 Cu2 I2 N6 O2 P2'
_chemical_formula_weight         1212.59
_chemical_name_systematic
;
Di-\m-iodo-bis({2-[(diphenylphosphoryl)methylamino]-7-methyl-1,8-
naphthyridine-\kN^8^}copper(I)) dichloromethane solvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 122.203(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.613(4)
_cell_length_b                   16.257(3)
_cell_length_c                   18.031(4)
_cell_measurement_reflns_used    1968
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.777
_cell_measurement_theta_min      2.455
_cell_volume                     4864.7(17)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_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  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0688
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12486
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.75
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.365
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2392
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.668
_refine_diff_density_min         -0.720
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         4229
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.1299
_refine_ls_R_factor_gt           0.0539
_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^)+(0.0828P)^2^+10.2228P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1662
_reflns_number_gt                3001
_reflns_number_total             4229
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2070.cif
_cod_data_source_block           I
_cod_original_cell_volume        4864.7(16)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2210512
_cod_database_fobs_code          2210512