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_7035798
_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
'2(C100 H76 Br2 Cd N4 P4 Pt2),4(C H Cl3),7(H2O)'
_chemical_formula_sum            'C204 H170 Br4 Cd2 Cl12 N8 O7 P8 Pt4'
_chemical_formula_weight         4843.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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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                113.2070(10)
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_cell_angle_gamma                101.2470(10)
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_cell_length_c                   19.5076(4)
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_cell_measurement_temperature    173(2)
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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_k_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_full        29.08
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_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    3.547
_exptl_absorpt_correction_T_max  0.7894
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_diff_density_max         1.890
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         30582
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0777P)^2^+28.0259P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1478
_refine_ls_wR_factor_ref         0.1566
_reflns_number_gt                23687
_reflns_number_total             30582
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02404h2.cif
_cod_data_source_block           e2914a
_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               7035798