1-D polymer containing the [Ru???N???Ru] ??-nitrido moiety: crystal structure and magnetic properties of {[Cu(en)2]3[Ru2N(CN)10]??ClO4}n (en = 1,2-diaminoethane)Electronic supplementary information (ESI) available: field dependence of magnetisation for cluster 1 and polymer 2. See http://www.rsc.org/suppdata/cc/b2/b205534c/
Sun, Xian-Ru; Liang, Jiang-Lin; Che, Chi-Ming; Zhu, Nianyong; Zhang, X. X.; Gao, Song; Chemical Communications  (2002) 2090–; doi:10.1039/b205534c

data_7114020
_publ_section_title
;
 1-D polymer containing the [Ru???N???Ru] ??-nitrido moiety: crystal
 structure and magnetic properties of {[Cu(en)2]3[Ru2N(CN)10]??ClO4}n (en
 = 1,2-diaminoethane)Electronic supplementary information (ESI) available:
 field dependence of magnetisation for cluster 1 and polymer 2. See
 http://www.rsc.org/suppdata/cc/b2/b205534c/
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              2090
_journal_paper_doi               10.1039/b205534c
_journal_year                    2002
_chemical_formula_moiety         'C22 H52 Cl Cu3 N23 O6 Ru2'
_chemical_formula_sum            'C22 H52 Cl Cu3 N23 O6 Ru2'
_chemical_formula_weight         1163.08
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.29(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.502(2)
_cell_length_b                   22.567(4)
_cell_length_c                   11.189(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     2389.1(9)
_computing_cell_refinement       Scalepack
_computing_data_collection       MarControl
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      300(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0465
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17587
_diffrn_reflns_theta_full        25.56
_diffrn_reflns_theta_max         25.56
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    2.045
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1170
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.791
_refine_diff_density_min         -1.319
_refine_diff_density_rms         0.360
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4396
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.172
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0957P)^2^+1.4182P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1383
_refine_ls_wR_factor_ref         0.1484
_reflns_number_gt                3997
_reflns_number_total             4396
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b205534c.txt
_cod_data_source_block           mar13all
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               7114020