Magnetic properties of phosphate-bridged copper(II) organic‒inorganic hybrid compounds
Yanko Moreno; Andrés Vega; Svetlana Ushak; Ricardo Baggio; Octavio Peña; Eric Le Fur; Jean-Yves Pivan; Evgenia Spodine; J. Mater. Chem. 13 (2003) 2381–2387; doi:10.1039/b212463g

data_7204590
_publ_section_title
;
 Magnetic properties of phosphate-bridged copper(II) organic--inorganic
 hybrid compounds
;
_journal_issue                   9
_journal_name_full               'J. Mater. Chem.'
_journal_page_first              2381
_journal_page_last               2387
_journal_paper_doi               10.1039/b212463g
_journal_volume                  13
_journal_year                    2003
_chemical_formula_sum            'C40 H32 Cu4 N8 O29 P5 V4'
_chemical_formula_weight         1701.55
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.80(10)
_cell_angle_beta                 78.85(10)
_cell_angle_gamma                78.09(10)
_cell_formula_units_Z            1
_cell_length_a                   7.4130(10)
_cell_length_b                   12.9922(5)
_cell_length_c                   14.9682(5)
_cell_volume                     1383.9(7)
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2500
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5851
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    2.395
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.800
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    2.0420(11)
_exptl_crystal_F_000             843
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.25
_refine_diff_density_min         -0.71
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    0.95
_refine_ls_goodness_of_fit_ref   0.95
_refine_ls_number_parameters     247
_refine_ls_number_reflns         1808
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0682
_refine_ls_shift/su_max          0.0003
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/\s^2^(I)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0887
_refine_ls_wR_factor_ref         0.0887
_reflns_number_gt                1808
_reflns_number_total             5852
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b212463g.txt
_cod_data_source_block           (I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'None' changed to 'none' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7204590