Dimerized Nickel2+ Chain Compounds with Nitro-Nitrito Bridges and Unprecedented [Ln(NO3)4(CH3OH)2]- Anions (Ln = Lanthanide). Crystal Structure and Magnetic Properties
T. M. Rajendiran; Olivier Kahn; Stéphane Golhen; Lahcène Ouahab; Zentaro Honda; Koichi Katsumata; Inorganic Chemistry 37 (1998) 5693–5696; doi:10.1021/ic980458q

data_4323101
_publ_section_title
;
 Dimerized Nickel2+ Chain Compounds with Nitro-Nitrito Bridges and
 Unprecedented [Ln(NO3)4(CH3OH)2]- Anions (Ln = Lanthanide). Crystal
 Structure and Magnetic Properties
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5693
_journal_page_last               5696
_journal_paper_doi               10.1021/ic980458q
_journal_volume                  37
_journal_year                    1998
_chemical_formula_moiety         '[Eu(No3)4(CH3OH)2][NO3][Ni(en)2(NO2)]2CH3OH'
_chemical_formula_sum            'C11 H44 Eu N15 Ni2 O22'
_chemical_formula_weight         1007.99
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.791(7)
_cell_length_b                   10.465(5)
_cell_length_c                   21.716(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    233(2)
_cell_measurement_theta_max      11.021
_cell_measurement_theta_min      8.441
_cell_volume                     3589(2)
_computing_cell_refinement       'Nonius CAD4'
_computing_data_collection       'Nonius CAD4'
_computing_data_reduction        MolEN
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      233(2)
_diffrn_measurement_device       'Enraf-nonius 4-circle diffractometer'
_diffrn_measurement_method       \q-\2q
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0224
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_max         27.96
_diffrn_reflns_theta_min         1.59
_diffrn_standards_decay_%        0.1
_diffrn_standards_interval_count 250
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.865
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_F_000             2040
_refine_diff_density_max         1.296
_refine_diff_density_min         -1.005
_refine_diff_density_rms         0.229
_refine_ls_extinction_coef       0.0030(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.188
_refine_ls_goodness_of_fit_obs   1.231
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4517
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_refine_ls_restrained_S_obs      1.231
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_obs          0.0439
_refine_ls_shift/esd_max         -0.013
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0867P)^2^+1.6611P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2000
_refine_ls_wR_factor_obs         0.1269
_reflns_number_observed          3713
_reflns_number_total             4534
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic980458q.cif
_cod_data_source_block           euni
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'None' changed to 'none'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1673 2011-04-08 12:14:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0867P)^2^+1.6611P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0867P)^2^+1.6611P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3588.5(23)
_cod_database_code               4323101