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_7114021
_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         'C50 H160 Cu5 N42 O30 Ru4'
_chemical_formula_sum            'C50 H160 Cu5 N42 O30 Ru4'
_chemical_formula_weight         2552.09
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.462(6)
_cell_length_b                   12.660(2)
_cell_length_c                   30.697(6)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     11450(4)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.806
_diffrn_measured_fraction_theta_max 0.806
_diffrn_measurement_device_type  'Marresearch Imaging Plate mar300'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0794
_diffrn_reflns_av_sigmaI/netI    0.1295
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            34230
_diffrn_reflns_theta_full        25.59
_diffrn_reflns_theta_max         25.59
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    1.499
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5100
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.151
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.914
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         8684
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.914
_refine_ls_R_factor_all          0.1145
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0856P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1487
_refine_ls_wR_factor_ref         0.1691
_reflns_number_gt                4549
_reflns_number_total             8684
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b205534c.txt
_cod_data_source_block           mar394a
_cod_database_code               7114021