Charge-transfer two-dimensional layers constructed from a 2 : 1 assembly of paddlewheel diruthenium(II,II) complexes and bis[1,2,5]thiadizolotetracyanoquinodimethane: bulk magnetic behavior as a function of inter-layer interactions
Motokawa, N.; Oyama, T.; Matsunaga, S.; Miyasaka, H.; Yamashita, M.; Dunbar, K. R.; CrystEngComm 11 (2009) 2121–; doi:10.1039/b905486c

data_7201151
_publ_section_title
;
 Charge-transfer two-dimensional layers constructed from a
 2&#x2009;:&#x2009;1 assembly of paddlewheel diruthenium(II,II)
 complexes and bis[1,2,5]thiadizolotetracyanoquinodimethane: bulk
 magnetic behavior as a function of inter-layer interactions
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              2121
_journal_paper_doi               10.1039/b905486c
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C72 H40 Cl8 F8 N8 O16 Ru4 S2 '
_chemical_formula_sum            'C72 H40 Cl8 F8 N8 O16 Ru4 S2'
_chemical_formula_weight         2177.16
_space_group_IT_number           2
_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                77.697(6)
_cell_angle_beta                 76.965(6)
_cell_angle_gamma                73.843(5)
_cell_formula_units_Z            1
_cell_length_a                   10.1901(17)
_cell_length_b                   14.441(2)
_cell_length_c                   14.560(2)
_cell_measurement_reflns_used    4735
_cell_measurement_temperature    103.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1978.9(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.749
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       w
_diffrn_radiation_type           'Mo Ka'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13460
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_exptl_absorpt_coefficient_mu    1.162
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.891
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.827
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1072.00
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.25
_refine_diff_density_min         -1.10
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     533
_refine_ls_number_reflns         6803
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[s^2^(Fo^2^)+(0.0555P)^2^+4.2653P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1299
_reflns_number_gt                4973
_reflns_number_total             6803
_reflns_threshold_expression     F^2^>2.0s(F^2^)
_cod_data_source_file            b905486c.txt
_cod_data_source_block           '__Ru2-o-F-BTDA'
_cod_original_cell_volume        1978.9(6)
_cod_original_formula_sum        'C72 H40 Cl8 F8 N8 O16 Ru4 S2 '
_cod_database_code               7201151