{μ-6,6'-Dimethoxy-2,2-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}trinitratocopper(II)dysprosium(III) methanol monosolvate
Xu, Lili; Li, Hong-Feng; Chen, Peng; Yan, Peng-Fei; Acta Crystallographica Section E 67 (2011) m367–; doi:10.1107/S1600536811005253

data_2229530
_publ_section_title
;
 {\m-6,6'-Dimethoxy-2,2-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}trinitratocopper(II)dysprosium(III)
 methanol monosolvate
;
_journal_coeditor_code           VM2074
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m367
_journal_paper_doi               10.1107/S1600536811005253
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu Dy (C19 H20 N2 O4) (N O3)3], C H4 O'
_chemical_formula_moiety         'C19 H20 Cu Dy N5 O13, C H4 O'
_chemical_formula_sum            'C20 H24 Cu Dy N5 O14'
_chemical_formula_weight         784.49
_chemical_name_systematic
;
{\m-6,6'-Dimethoxy-2,2-[propane-1,3-
diylbis(nitrilomethanylylidene)]diphenolate}trinitratocopper(II)dysprosium(III)
methanol monosolvate
;
_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
_cell_angle_alpha                91.64(3)
_cell_angle_beta                 106.85(3)
_cell_angle_gamma                99.52(3)
_cell_formula_units_Z            2
_cell_length_a                   8.3572(17)
_cell_length_b                   12.130(2)
_cell_length_c                   13.891(3)
_cell_measurement_reflns_used    11901
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      54.92
_cell_measurement_theta_min      6.15
_cell_volume                     1324.8(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART1000 CCD'
_diffrn_measurement_method       \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  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13040
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.07
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.680
_exptl_absorpt_correction_T_max  0.667
_exptl_absorpt_correction_T_min  0.595
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.372
_refine_diff_density_min         -0.878
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         6008
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0635P)^2^+1.7058P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1082
_reflns_number_gt                5600
_reflns_number_total             6008
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vm2074.cif
_cod_data_source_block           I
_cod_original_cell_volume        1324.8(4)
_cod_database_code               2229530
_cod_database_fobs_code          2229530