Diamondoid architectures from halogen-bonded halides.
Gunawardana, C. A.; Đaković, M; Aakeröy, C B; Chemical communications (Cambridge, England) 54 (2018) 607–610; doi:10.1039/c7cc08839f

data_7121004
_publ_section_title
;
 Diamondoid architectures from halogen-bonded halides.
;
_journal_issue                   6
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              607
_journal_page_last               610
_journal_paper_doi               10.1039/c7cc08839f
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C33 H16 I4, C24 H20 P, Cl'
_chemical_formula_sum            'C57 H36 Cl I4 P'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_Hall  '-I 2ya'
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2017-10-30 deposited with the CCDC.
2017-12-15 downloaded from the CCDC.
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_cell_measurement_temperature    296(2)
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_cell_volume                     10159.3(6)
_computing_cell_refinement
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CrysAlisPro, Agilent Technologies, Version 1.171.37.35 
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_computing_data_collection
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CrysAlisPro, Agilent Technologies, Version 1.171.37.35
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CrysAlisPro, Agilent Technologies, Version 1.171.37.35 
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Mercury (Bruno et al., 2002)
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SHELXL-2014/7 (Sheldrick, 2013) and PLATON (Spek, 2003)
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SHELXL-2014/7 (Sheldrick, 2014)
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SHELXS-2014/7 (Sheldrick, 2014)
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_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
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_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
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_diffrn_reflns_limit_l_min       -42
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_diffrn_reflns_theta_max         26.999
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Enhance (Mo) X-ray Source
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_exptl_absorpt_coefficient_mu    2.574
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4976
_exptl_crystal_size_max          0.56
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_refine_ls_number_reflns         11060
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0796P)^2^+24.7408P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1456
_refine_ls_wR_factor_ref         0.1620
_reflns_number_gt                7817
_reflns_number_total             11108
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc08839f2.cif
_cod_data_source_block           I4TEPM-Ph4PCl
_cod_depositor_comments
'Adding full bibliography for 7121002--7121004.cif.'
_cod_database_code               7121004
_shelxl_version_number           2014-7
_shelx_res_checksum              3207