{1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II) perchlorate
Yang, Guang; Rybak-Akimova, Elena V.; Campana, Charles; Acta Crystallographica Section E 73 (2017) 1082–1086; doi:10.1107/S2056989017009410

data_2242178
_publ_section_title
;
 {1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II)
 perchlorate
;
_journal_coeditor_code           ZL2706
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1082
_journal_page_last               1086
_journal_paper_doi               10.1107/S2056989017009410
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Cu (Cl O4) (C22 H30 N4)] Cl O4'
_chemical_formula_moiety         'C22 H30 Cl Cu N4 O4 +, Cl O4 -'
_chemical_formula_sum            'C22 H30 Cl2 Cu N4 O8'
_chemical_formula_weight         612.94
_chemical_name_systematic
;
{1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II)
perchlorate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_cell_angle_alpha                90
_cell_angle_beta                 106.5310(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.4079(7)
_cell_length_b                   14.0001(5)
_cell_length_c                   19.9387(7)
_cell_measurement_reflns_used    9672
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      28.642
_cell_measurement_theta_min      2.910
_cell_volume                     4926.1(3)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2012)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2006) and <i>OLEX2</i> (Dolomanov <i>et
al.</i>,  2009)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100.01
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            144743
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.889
_diffrn_reflns_theta_min         2.659
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.161
_exptl_absorpt_correction_T_max  0.832
_exptl_absorpt_correction_T_min  0.752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause <i>et al.</i>,  2015)
;
_exptl_crystal_colour            'clear dark blue'
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_description       block
_exptl_crystal_F_000             2536
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.327
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     667
_refine_ls_number_reflns         12921
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0378
_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^)+(0.0444P)^2^+3.2192P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0825
_refine_ls_wR_factor_ref         0.0909
_reflns_number_gt                9894
_reflns_number_total             12921
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            zl2706sup1.cif
_cod_data_source_block           I
_cod_database_code               2242178
_cod_database_fobs_code          2242178
_shelx_estimated_absorpt_t_min   0.752
_shelx_estimated_absorpt_t_max   0.832
_shelx_hkl_checksum              69418
_shelx_res_checksum              61203
_shelxl_version_number           .2013