<i>catena</i>-Poly[[μ-cyano-[1,3-bis(tetramethylguanidino)propane]dicopper(I)]-μ-cyano]
Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald; Acta Crystallographica Section E 61 (2005) m79–m81; doi:10.1107/S160053680403199X

data_2204880
_publ_section_title
<i>catena</i>-Poly[[\m-cyano-[1,3-bis(tetramethylguanidino)propane]dicopper(I)]-\m-cyano]
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m79
_journal_page_last               m81
_journal_paper_doi               10.1107/S160053680403199X
_journal_volume                  61
_journal_year                    2005
_chemical_formula_moiety         'C15 H30 Cu2 N8'
_chemical_formula_sum            'C15 H30 Cu2 N8'
_chemical_formula_weight         449.55
_chemical_melting_point          '[Cu2 (C N)2 (C13 H30 N4)]'
_chemical_name_systematic
;
catena-poly[[\m-cyano-1:2C:N-[1,3-bis(tetramethylguanidino)propane-
1\k^2^N,N']dicopper(II)]-\m-cyano-2:1'C:N]
;
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.918(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.158(2)
_cell_length_b                   9.0145(7)
_cell_length_c                   18.1825(15)
_cell_measurement_reflns_used    1900
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      22.97
_cell_measurement_theta_min      2.40
_cell_volume                     4129.6(6)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2002)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_av_sigmaI/netI    0.0791
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11785
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.62
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  620
_diffrn_standards_number         259
_exptl_absorpt_coefficient_mu    2.074
_exptl_absorpt_correction_T_max  0.810
_exptl_absorpt_correction_T_min  0.655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.306
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.844
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4216
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.844
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0391
_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^)+(0.0241P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0778
_reflns_number_gt                2627
_reflns_number_total             4216
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn6182.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2204880
_cod_database_fobs_code          2204880