A Periodic Walk: A Series of First-Row Transition Metal Complexes with the Pentadentate Ligand PY5
Robertus J. M. Klein Gebbink; Robert T. Jonas; Christian R. Goldsmith; T. Daniel P. Stack; Inorganic Chemistry 41 (2002) 4633–4641; doi:10.1021/ic025617r

data_4318474
_publ_section_title
;
 A Periodic Walk: A Series of First-Row Transition Metal Complexes with
 the Pentadentate Ligand PY5
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4633
_journal_page_last               4641
_journal_paper_doi               10.1021/ic025617r
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C29 H27 Cl3 N5 O3 Zn1.5'
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_cell_length_b                   14.5730(2)
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_cell_measurement_reflns_used    4695
_cell_measurement_temperature    175
_cell_measurement_theta_max      26.1
_cell_measurement_theta_min      1.39
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_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan for Windows (MSC, 1997)'
_computing_publication_material  'teXsan for Windows (MSC, 1997)'
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;

SHELXS86 (Sheldrick, 1985)

;
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_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_reduction_process 'Lp corrections applied'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
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_cod_depositor_comments
;
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        2914.5(1)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C29 H27 Cl3 N5 O3 Zn1.50 '
_cod_database_code               4318474