Molecular tectonics: heterometallic coordination networks based on a Pt(ii) organometallic metallatecton.
Zigon, Nicolas; Kyritsakas, Nathalie; Hosseini, Mir Wais; Dalton transactions (Cambridge, England : 2003) 44 (2015) 14204–14207; doi:10.1039/c5dt02404h

data_7035797
_publ_section_title
;
 Molecular tectonics: heterometallic coordination networks based on a
 Pt(ii) organometallic metallatecton.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14204
_journal_page_last               14207
_journal_paper_doi               10.1039/c5dt02404h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C100 H76 Cl2 Co N4 P4 Pt2,C H Cl3,3(H2 O)'
_chemical_formula_sum            'C101 H83 Cl5 Co N4 O3 P4 Pt2'
_chemical_formula_weight         2150.95
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2015-05-27 deposited with the CCDC.
2015-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                89.7140(10)
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_cell_angle_gamma                81.0480(10)
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_cell_length_b                   17.2285(3)
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.41
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_full        30.33
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_exptl_absorpt_coefficient_mu    2.789
_exptl_absorpt_correction_T_max  0.8731
_exptl_absorpt_correction_T_min  0.8505
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
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_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
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_platon_squeeze_details          ' '
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         30865
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0617
_refine_ls_shift/su_max          0.055
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1267P)^2^+0.0100P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1987
_refine_ls_wR_factor_ref         0.2118
_reflns_number_gt                22151
_reflns_number_total             30865
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02404h2.cif
_cod_data_source_block           e2887a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

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

 Adding full bibliography for 7035795--7035799.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035797