Crystal structure of bis(μ~2~-4-<i>tert</i>-butyl-2-formylphenolato)-1:2κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^;3:4κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^-bis(4-<i>tert</i>-butyl-2-formylphenolato)-2κ^2^<i>O</i>^1^,<i>O</i>^2^;4κ^2^<i>O</i>^1^,<i>O</i>^2^-di-μ~3~-methoxido-1:2:3κ^3^<i>O</i>;1:3:4κ^3^<i>O</i>-di-μ~2~-methoxido-1:4κ^2^<i>O</i>;2:3κ^2^<i>O</i>-tetracopper(II)
Bugenhagen, Bernhard Eberhard Christian; Prosenc, Marc Heinrich; Acta Crystallographica Section E 71 (2015) 324–326; doi:10.1107/S205698901500376X

data_2240470
_publ_section_title
;
 Crystal structure of
 bis(\m~2~-4-<i>tert</i>-butyl-2-formylphenolato)-1:2\k^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^;3:4\k^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^-bis(4-<i>tert</i>-butyl-2-formylphenolato)-2\k^2^<i>O</i>^1^,<i>O</i>^2^;4\k^2^<i>O</i>^1^,<i>O</i>^2^-di-\m~3~-methoxido-1:2:3\k^3^<i>O</i>;1:3:4\k^3^<i>O</i>-di-\m~2~-methoxido-1:4\k^2^<i>O</i>;2:3\k^2^<i>O</i>-tetracopper(II)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              324
_journal_page_last               326
_journal_paper_doi               10.1107/S205698901500376X
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Cu4 (C H3 O)4 (C11 H13 O2)4]'
_chemical_formula_moiety         'C48 H64 Cu4 O12'
_chemical_formula_sum            'C48 H64 Cu4 O12'
_chemical_formula_weight         1087.15
_chemical_name_systematic
Bis(\m~2~-4-<i>tert</i>-butyl-2-formylphenolato)-1:2\k^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^;3:4\k^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^-bis(4-<i>tert</i>-butyl-2-formylphenolato)-2\k^2^<i>O</i>^1^,<i>O</i>^2^;4\k^2^<i>O</i>^1^,<i>O</i>^2^-di-\m~3~-methoxido-1:2:3\k^3^<i>O</i>;1:3:4\k^3^<i>O</i>-di-\m~2~-methoxido-1:4\k^2^<i>O</i>;2:3\k^2^<i>O</i>-tetracopper(II)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 109.29
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.68630(10)
_cell_length_b                   20.8460(2)
_cell_length_c                   13.13870(10)
_cell_measurement_reflns_used    32205
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      37.468
_cell_measurement_theta_min      2.289
_cell_volume                     2504.03(4)
_computing_cell_refinement
;
SAINT (Bruker, 2009)
;
_computing_data_collection
;
APEX2 (Bruker, 2009)
;
_computing_data_reduction
;
SAINT (Bruker, 2009)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>, 2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>, 2009)
;
_computing_structure_refinement
;
SHELXL98 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS98 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            105316
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.141
_diffrn_reflns_theta_min         1.911
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.733
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.918784
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2009)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_description       rhomb
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.024
_refine_diff_density_min         -0.324
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         9505
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0255
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0364P)^2^+1.1362P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0660
_refine_ls_wR_factor_ref         0.0713
_reflns_number_gt                7960
_reflns_number_total             9505
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm5122sup1.cf
_cod_data_source_block           I
_cod_original_cell_volume        2504.05(4)
_cod_database_code               2240470
_shelxl_version_number           .2013