Conversion Between Doubly and Triply Carboxylate-Bridged Di(ethylzinc) Complexes and Formation of the (μ-Oxo)tetrazinc Carboxylate [Zn4O(Ar(Tol)CO2)6].
Minier, Mikael A.; Lippard, Stephen J.; Organometallics 33 (2014) 1462–1466; doi:10.1021/om5000503

data_4082761
_publ_section_title
;
 Conversion Between Doubly and Triply Carboxylate-Bridged Di(ethylzinc)
 Complexes and Formation of the (\m-Oxo)tetrazinc Carboxylate
 [Zn4O(Ar(Tol)CO2)6].
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1462
_journal_page_last               1466
_journal_paper_doi               10.1021/om5000503
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C126.22 H102.18 O13 Zn4'
_chemical_formula_weight         2088.34
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
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_cell_volume                     7680.1(4)
_computing_cell_refinement       'Bruker SMART'
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_exptl_crystal_density_meas      ?
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+88.6220P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1906
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_reflns_number_gt                4207
_reflns_number_total             4795
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5000503_si_002.cif
_cod_data_source_block           nR-3
_cod_depositor_comments
;Adding full bibliography for 4082759--4082761.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        7680.1(5)
_cod_database_code               4082761
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_shelx_hkl_checksum              53802