Bis(μ-hexadecanoato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(hexadecanoato-κ<i>O</i>)copper(II)] methanol disolvate
Che Mat, Ahmad Nazeer; Abdullah, Norbani; Khaledi, Hamid; Tee, Jia Ti; Acta Crystallographica Section E 67 (2011) m599–m600; doi:10.1107/S1600536811013559

data_2230105
_publ_section_title
;
 Bis(\m-hexadecanoato-\k^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')(hexadecanoato-\k<i>O</i>)copper(II)]
 methanol disolvate
;
_journal_coeditor_code           OM2420
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m599
_journal_page_last               m600
_journal_paper_doi               10.1107/S1600536811013559
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu2 (C16 H31 O2)4 (C10 H8 N2)2], 2C H4 O'
_chemical_formula_moiety         'C84 H140 Cu2 N4 O8, 2(C H4 O)'
_chemical_formula_sum            'C86 H148 Cu2 N4 O10'
_chemical_formula_weight         1525.16
_chemical_name_systematic
;
Bis(\m-hexadecanoato-\k^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine-
\k^2^<i>N</i>,<i>N</i>')(hexadecanoato-\k<i>O</i>)copper(II)] methanol
disolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.559(2)
_cell_angle_beta                 98.681(2)
_cell_angle_gamma                95.516(2)
_cell_formula_units_Z            1
_cell_length_a                   9.6064(3)
_cell_length_b                   9.7506(3)
_cell_length_c                   24.0234(8)
_cell_measurement_reflns_used    2321
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.54
_cell_measurement_theta_min      2.54
_cell_volume                     2210.14(12)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'SHELXL97 and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \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  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0670
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            13457
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    0.536
_exptl_absorpt_correction_T_max  0.9534
_exptl_absorpt_correction_T_min  0.8142
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             830
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.307
_refine_diff_density_min         -0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         8088
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0610P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1103
_refine_ls_wR_factor_ref         0.1267
_reflns_number_gt                5498
_reflns_number_total             8088
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om2420.cif
_cod_data_source_block           I
_cod_database_code               2230105
_cod_database_fobs_code          2230105