Recognition of fractional non-innocent feature of osmium coordinated 2,2'-biimidazole or 2,2'-bis(4,5-dimethylimidazole) and their interactions with anions.
Das, Ankita; Mobin, Shaikh M.; Lahiri, Goutam Kumar; Dalton transactions (Cambridge, England : 2003) 44 (2015) 13204–13219; doi:10.1039/c5dt01763g

data_7035409
_publ_section_title
;
 Recognition of fractional non-innocent feature of osmium coordinated
 2,2'-biimidazole or 2,2'-bis(4,5-dimethylimidazole) and their
 interactions with anions.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13204
_journal_page_last               13219
_journal_paper_doi               10.1039/c5dt01763g
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C46 H36 Cl2 N12 O8 Os2'
_chemical_formula_weight         1336.17
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_Hall  '-I 2ya'
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;
2015-06-04 deposited with the CCDC.
2015-06-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_a                   17.1087(10)
_cell_length_b                   14.5365(6)
_cell_length_c                   19.9638(11)
_cell_measurement_reflns_used    3397
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      71.1845
_cell_measurement_theta_min      3.0026
_cell_volume                     4755.5(5)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'OXFORD DIFFRACTION SUPER NOVA'
_diffrn_measurement_method       \w/q-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Micro-Focus (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0668
_diffrn_reflns_av_unetI/netI     0.0633
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_number            15236
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         71.324
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.180
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4545
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0524P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1092
_refine_ls_wR_factor_ref         0.1299
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3139
_reflns_number_total             4545
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt01763g2.cif
_cod_data_source_block           '[3](ClO4)2'
_cod_depositor_comments
'Adding full bibliography for 7035408--7035410.cif.'
_cod_database_code               7035409
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.177
_shelx_estimated_absorpt_t_max   0.315
_shelx_res_checksum              25907