Control of Complex Formation through Peripheral Substituents in Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear Cobalt-Azido Complexes.
Sommer, Michael G.; Marx, Raphael; Schweinfurth, David; Rechkemmer, Yvonne; Neugebauer, Petr; van der Meer, Margarethe; Hohloch, Stephan; Demeshko, Serhiy; Meyer, Franc; van Slageren, Joris; Sarkar, Biprajit; Inorganic chemistry 56 (2017) 402–413; doi:10.1021/acs.inorgchem.6b02330

data_4344964
_publ_section_title
;
 Control of Complex Formation through Peripheral Substituents in
 Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear
 Cobalt-Azido Complexes.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              402
_journal_page_last               413
_journal_paper_doi               10.1021/acs.inorgchem.6b02330
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C100 H143 Cl2 Co2 N27 O10'
_chemical_formula_weight         2072.17
_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_secondary   difmap
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_cell_measurement_temperature    140(2)
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_cell_volume                     2813.2(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Smart AXS'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
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_diffrn_reflns_limit_h_max       16
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_diffrn_reflns_limit_k_min       -19
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_exptl_absorpt_correction_T_min  0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.223
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.30
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_refine_ls_number_reflns         12808
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0965P)^2^+2.2831P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1611
_refine_ls_wR_factor_ref         0.1873
_reflns_number_gt                8665
_reflns_number_total             12808
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic6b02330_si_002.cif
_cod_data_source_block           sar381m
_cod_depositor_comments
'Adding full bibliography for 4344962--4344968.cif.'
_cod_original_cell_volume        2813.2(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4344964