Bis(μ-<small>L</small>-arginine-κ^3^<i>N</i>^2^,<i>O</i>:<i>O</i>')bis(<small>L</small>-arginine-κ^2^<i>N</i>^2^,<i>O</i>)tetra-μ-chlorido-tetrachloridotetracopper(II)
Arularasan, P.; B.Sivakumar; Chakkaravarthi, G.; Mohan, R.; Acta Crystallographica Section E 69 (2013) m583–m584; doi:10.1107/S1600536813026780

data_2238774
_publ_section_title
;
 Bis(\m-<small>L</small>-arginine-\k^3^<i>N</i>^2^,<i>O</i>:<i>O</i>')bis(<small>L</small>-arginine-\k^2^<i>N</i>^2^,<i>O</i>)tetra-\m-chlorido-tetrachloridotetracopper(II)
;
_journal_coeditor_code           RK2413
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m583
_journal_page_last               m584
_journal_paper_doi               10.1107/S1600536813026780
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'Cu Cl2 (C6 H14 N4 O2)'
_chemical_formula_moiety         'C6 H14 Cl2 Cu N4 O2'
_chemical_formula_sum            'C6 H14 Cl2 Cu N4 O2'
_chemical_formula_weight         308.44
_chemical_name_systematic
Bis(\m-<i>L</i>-arginine-\k^3^<i>N</i>^2^,<i>O</i>:<i>O</i>')bis(<i>L</i>-arginine-\k^2^<i>N</i>^2^,<i>O</i>)tetra-\m-chlorido-tetrachloridotetracopper(II)
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 99.271(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.9315(8)
_cell_length_b                   12.8805(10)
_cell_length_c                   15.3949(13)
_cell_measurement_reflns_used    8444
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.62
_cell_measurement_theta_min      1.34
_cell_volume                     2335.0(3)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2004)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2004)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2004)'
_computing_molecular_graphics    '<i>PLATON</i> (Spek, 2009)'
_computing_publication_material  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Kappa APEXII'
_diffrn_measurement_method       '\w- and \f-scans'
_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  0.0533
_diffrn_reflns_av_sigmaI/netI    0.0840
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16238
_diffrn_reflns_theta_full        27.62
_diffrn_reflns_theta_max         27.62
_diffrn_reflns_theta_min         1.34
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.315
_exptl_absorpt_correction_T_max  0.7083
_exptl_absorpt_correction_T_min  0.6546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.979
_refine_diff_density_min         -0.541
_refine_ls_abs_structure_details 'Flack (1983), 2876 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.005(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         8443
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0439P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1119
_reflns_number_gt                6378
_reflns_number_total             8443
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rk2413.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2238774