Crystal structure of di-μ-iodido-bis{[bis(piperidin-1-yl)methane-κ^2^<i>N</i>,<i>N</i>']copper(I)}
Barth, Eva Rebecca; Golz, Christopher; Strohmann, Carsten; Acta Crystallographica Section E 71 (2015) m193–m194; doi:10.1107/S2056989015018757

data_2241207
_publ_section_title
;
 Crystal structure of
 di-\m-iodido-bis{[bis(piperidin-1-yl)methane-\k^2^<i>N</i>,<i>N</i>']copper(I)}
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m193
_journal_page_last               m194
_journal_paper_doi               10.1107/S2056989015018757
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Cu2 I2 (C11 H22 N2 )2]'
_chemical_formula_moiety         'C22 H44 Cu2 I2 N4'
_chemical_formula_sum            'C22 H44 Cu2 I2 N4'
_chemical_formula_weight         745.49
_chemical_name_systematic
;
Di-\m-iodido-bis{[bis(piperidin-1-yl)methane-\k^2^<i>N</i>,<i>N</i>']copper(I)}
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.718(4)
_cell_length_b                   8.4175(15)
_cell_length_c                   17.074(3)
_cell_measurement_reflns_used    38065
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.194
_cell_measurement_theta_min      2.176
_cell_volume                     2690.2(9)
_computing_cell_refinement
;
SAINT (Bruker, 2003)
;
_computing_data_collection
;
APEX2 (Bruker, 2003)
;
_computing_data_reduction
;
SAINT (Bruker, 2003)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009) and publCIF (Westrip,
2010)
;
_computing_structure_refinement
;
SHELXL2014/6 (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT</i> (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0955
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            38065
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.194
_diffrn_reflns_theta_min         2.176
_exptl_absorpt_coefficient_mu    3.893
_exptl_absorpt_correction_T_max  0.459
_exptl_absorpt_correction_T_min  0.256
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause <i>et al.</i>,  2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.992
_refine_diff_density_min         -0.435
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     73
_refine_ls_number_reflns         1704
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0354P)^2^+0.6685P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0646
_refine_ls_wR_factor_ref         0.0701
_reflns_number_gt                1349
_reflns_number_total             1704
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            su5211sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        2690.1(8)
_cod_database_code               2241207
_cod_database_fobs_code          2241207
_shelx_hkl_checksum              14973
_shelx_res_checksum              72871
_shelxl_version_number           2014/6