Ferromagnetic Coupling in "Double-Bridged" Dihydrogenpyrophosphate Complexes of Cobalt(II) and Nickel(II).
Greenfield, Tiffany J.; Hoffman, Amanda E.; Marino, Nadia; Goos, Alan G.; Lloret, Francesc; Julve, Miguel; Doyle, Robert P.; Inorganic chemistry 54 (2015) 6537–6546; doi:10.1021/acs.inorgchem.5b00866

data_4343429
_publ_section_title
;
 Ferromagnetic Coupling in &quot;Double-Bridged&quot;
 Dihydrogenpyrophosphate Complexes of Cobalt(II) and Nickel(II).
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6537
_journal_page_last               6546
_journal_paper_doi               10.1021/acs.inorgchem.5b00866
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C20 H24 Ni2 N4 O16 P4, 2(H2 O)'
_chemical_formula_sum            'C20 H28 N4 Ni2 O18 P4'
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_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_cell_formula_units_Z            1
_cell_length_a                   8.0187(15)
_cell_length_b                   9.4817(18)
_cell_length_c                   10.757(2)
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3010
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.404
_diffrn_reflns_theta_min         1.927
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_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS (Sheldrick, 2012)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_description       Block
_exptl_crystal_F_000             436
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_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.494
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3010
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0703P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0928
_refine_ls_wR_factor_ref         0.0997
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2717
_reflns_number_total             3010
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b00866_si_001.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4343428--4343430.cif.
;
_cod_database_code               4343429
_shelx_estimated_absorpt_t_min   0.744
_shelx_estimated_absorpt_t_max   0.744
_shelxl_version_number           2013-4
_shelx_res_checksum              16136
_shelx_hkl_checksum              38723