2-D soft ferromagnet based on [WV(CN)8]3‒ and CuII with a Tc of 34 KElectronic supplementary information (ESI) available: structure of [Cu(tetren)]2+ in 1 and (NC)7W‒CN‒Cu(NC)4 structural motif of 2; table and figures of IR spectra of 1, 2, tetren·5HCl and free tetren. See http://www.rsc.org/suppdata/cc/b2/b202810g/
Podgajny, Robert; Korzeniak, Tomasz; Balanda, Maria; Wasiutynski, Tadeusz; Errington, William; Kemp, Terence J.; Alcock, Nathaniel W.; Sieklucka, Barbara; Chemical Communications  (2002) 1138–; doi:10.1039/b202810g

data_7114207
_publ_section_title
;
 2-D soft ferromagnet based on [WV(CN)8]3-- and CuII with a Tc of 34
 KElectronic supplementary information (ESI) available: structure of
 [Cu(tetren)]2+ in 1 and (NC)7W--CN--Cu(NC)4 structural motif of 2; table
 and figures of IR spectra of 1, 2, tetren&#x00B7;5HCl and free tetren.
 See http://www.rsc.org/suppdata/cc/b2/b202810g/
;
_journal_issue                   10
_journal_name_full               'Chemical Communications'
_journal_page_first              1138
_journal_paper_doi               10.1039/b202810g
_journal_year                    2002
_chemical_formula_sum            'C8 H23 Cl2 Cu N5 O8'
_chemical_formula_weight         451.75
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 98.737(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.2510(9)
_cell_length_b                   15.2479(14)
_cell_length_c                   13.8062(14)
_cell_measurement_reflns_used    3784
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.99
_cell_measurement_theta_min      2.67
_cell_volume                     1716.8(3)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1994)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type
' Siemens SMART CCD area-detector diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5021
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         2.67
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.631
_exptl_absorpt_correction_T_max  0.8539
_exptl_absorpt_correction_T_min  0.6764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             932
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.763
_refine_diff_density_min         -0.522
_refine_diff_density_rms         0.084
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.15(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         2720
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0647P)^2^+3.1717P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1076
_reflns_number_gt                2516
_reflns_number_total             2720
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            b202810g.txt
_cod_data_source_block           cutet
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               7114207