2D LnIIIRuIII2 Compounds Constructed from trans-[Ru(acac)2(CN)2]-. Syntheses, Structures, and Magnetic Properties
Wai-Fun Yeung; Tai-Chu Lau; Xin-Yi Wang; Song Gao; Lap Szeto; Wing-Tak Wong; Inorganic Chemistry 45 (2006) 6756–6760; doi:10.1021/ic060580m

data_4346005
_publ_section_title
;
 2D LnIIIRuIII2 Compounds Constructed from trans-[Ru(acac)2(CN)2]-.
 Syntheses, Structures, and Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6756
_journal_page_last               6760
_journal_paper_doi               10.1021/ic060580m
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C24 H28 Er N6 O14 Ru2, C24 H20 P '
_chemical_formula_sum            'C48 H48 Er N6 O14 P Ru2'
_chemical_formula_weight         1333.31
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.10(1)
_cell_angle_beta                 73.98(1)
_cell_angle_gamma                82.08(1)
_cell_formula_units_Z            2
_cell_length_a                   10.918(1)
_cell_length_b                   13.208(2)
_cell_length_c                   19.155(2)
_cell_measurement_reflns_used    16313
_cell_measurement_temperature    301(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.1
_cell_volume                     2629.6(6)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction
'SAINT & CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2003)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Watkin et al., 1996)'
_computing_structure_solution
'DIRDIF99 (PATTY: Beurskens e. al. 1992; 1999)'
_diffrn_measured_fraction_theta_full 0.9383
_diffrn_measured_fraction_theta_max 0.9383
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16313
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    2.244
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1322.00
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.95
_refine_diff_density_min         -2.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     700
_refine_ls_number_reflns         8649
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0002Fo^2^ + 1.0000\s(Fo^2^) + 0.0002]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0400
_reflns_number_gt                7236
_reflns_number_total             11312
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic060580msi20060406_025116.cif
_cod_data_source_block           compound3
_cod_original_cell_volume        2629.6(5)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C48 H48 Er N6 O14 P Ru2 '
_cod_database_code               4346005