Water-soluble cyclodiphosphazanes: synthesis, gold(i) metal complexes and their in vitro antitumor studies
Suresh, D.; Balakrishna, Maravanji S.; Rathinasamy, Krishnan; Panda, Dulal; Mobin, Shaikh M.; Dalton Transactions  (2008) 2812–2814; doi:10.1039/b804026p

data_7004199
_publ_section_title
;
 Water-soluble cyclodiphosphazanes: synthesis, gold(i) metal complexes
 and their in vitro antitumor studies
;
_journal_issue                   21
_journal_name_full               'Dalton Transactions'
_journal_page_first              2812
_journal_page_last               2814
_journal_paper_doi               10.1039/b804026p
_journal_year                    2008
_chemical_formula_sum            'C17 H41 Au Cl I N4 P2'
_chemical_formula_weight         722.79
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
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_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90.00
_cell_angle_beta                 118.376(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.5625(7)
_cell_length_b                   11.9084(13)
_cell_length_c                   15.895(2)
_cell_measurement_temperature    293(2)
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_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    7.103
_exptl_absorpt_correction_T_max  0.3170
_exptl_absorpt_correction_T_min  0.2027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.29.9 (release 23-03-2006 CrysAlis171 .NET)
(compiled Mar 23 2006,23:39:28)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.33
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_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0833P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1229
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_cod_data_source_file            b804026p.txt
_cod_data_source_block           msb028b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2591.9(5)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               7004199