Synthesis, structure, and magnetic properties of discrete d–f heterodinuclear complexes designed from tetrahedrally distorted [Cu(salabza)] (H2salabza = N,N '-bis(salicylidene)-2-aminobenzylamine) and [Ln(hfac)3] (Hhfac = 1,1,1,5,5,5-hexafluoroacetylacetone, Ln = Gd or Lu)
Sasaki, Miwa; Manseki, Kazuhiro; Horiuchi, Hiroaki; Kumagai, Motoko; Sakamoto, Masatomi; Sakiyama, Hiroshi; Nishida, Yuzo; Sakai, Masahiro; Sadaoka, Yoshihiko; Ohba, Masaaki; Ōkawa, Hisashi; Journal of the Chemical Society, Dalton Transactions  (2000) 259–; doi:10.1039/a907423f

data_7008963
_publ_section_title
;
 Synthesis, structure, and magnetic properties of discrete d--f
 heterodinuclear complexes designed from tetrahedrally distorted
 [Cu(salabza)]
 (H2salabza&#x2005;=&#x2005;N,N&#x200A;'-bis(salicylidene)-2-aminobenzylamine)
 and [Ln(hfac)3]
 (Hhfac&#x2005;=&#x2005;1,1,1,5,5,5-hexafluoroacetylacetone,
 Ln&#x2005;=&#x2005;Gd or Lu)
;
_journal_issue                   3
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              259
_journal_paper_doi               10.1039/a907423f
_journal_year                    2000
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Wed Jan  7 16:36:18 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 105.45(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   17.354(3)
_cell_length_b                   14.050(3)
_cell_length_c                   17.780(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      30.01
_cell_measurement_theta_min      29.85
_cell_volume                     4178.5(14)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.55
_diffrn_reflns_number            10321
_diffrn_standards_decay_%        -24.05
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 22.190
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.954
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2272.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_min          0.150
_refine_diff_density_max         -0.87830
_refine_diff_density_min         0.57990
_refine_ls_extinction_coef       0.58276
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.300
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         6226
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0340
_refine_ls_shift/esd_max         0.6410
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0400
_cod_data_source_file            a907423f.txt
_cod_data_source_block           '[Cu(salabza)Gd(hfac)3]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 91 time.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:
data name '_exptl_crystal_f000' replaced with '_exptl_crystal_F_000'
as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 4998 2017-03-02 13:24:31Z antanas 
;
_cod_original_cell_volume        4178(1)
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_database_code               7008963
_exptl_absorpt_process_descript  psi-scan
_diffrn_reflns_h_min             -21
_diffrn_reflns_h_max             22
_diffrn_reflns_k_min             0
_diffrn_reflns_k_max             0
_diffrn_reflns_l_min             -23
_diffrn_reflns_l_max             0
_diffrn_theta_max                27.5100
_diffrn_orient_matrix_11         -0.04358
_diffrn_orient_matrix_12         0.03912
_diffrn_orient_matrix_13         0.01161
_diffrn_orient_matrix_21         0.02245
_diffrn_orient_matrix_22         0.05833
_diffrn_orient_matrix_23         -0.01851
_diffrn_orient_matrix_31         -0.03421
_diffrn_orient_matrix_32         -0.01156
_diffrn_orient_matrix_33         -0.05411