A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.
Stein, Timo; Hoffmann, Frank; Fröba, Michael; Dalton transactions (Cambridge, England : 2003) 48 (2019) 15127–15135; doi:10.1039/c9dt03044a

data_7701222
_publ_section_title
;
 A new set of metal-organic frameworks synthesised from
 diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker
 molecules.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15127
_journal_page_last               15135
_journal_paper_doi               10.1039/c9dt03044a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C38 H31 O9 P, 2(C H Cl3)'
_chemical_formula_sum            'C40 H33 Cl6 O9 P'
_chemical_formula_weight         901.33
_chemical_name_systematic
'(3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)diphenylphosphane oxide 2-chloroform solvate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-07-24 deposited with the CCDC.    2019-08-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.4590(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   17.7231(2)
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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;
  1 omega  -45.00   52.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -      -22.3271   38.0000    0.0000 97

  2 omega   -9.00  101.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6396   57.0000   90.0000 110

  3 omega    5.00   93.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6396   57.0000  -30.0000 88

  4 omega  -12.00  104.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6396   77.0000 -150.0000 116

  5 omega  -12.00   67.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6396  -99.0000   90.0000 79

  6 omega  -47.00   64.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6396  -19.0000   90.0000 111

  7 omega   13.00   95.00   1.0000   75.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6396 -145.0000  -44.6969 82

;
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_diffrn_orient_matrix_UB_22      -0.0082823000
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_diffrn_orient_matrix_UB_33      -0.0097784000
_diffrn_radiation_monochromator  mirror
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_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.638
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_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.516
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_description       block
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'slow evaporation of the solvent from a solution of the compound in chloroform'
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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^)+(0.0492P)^2^+3.5090P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7701221--7701232.cif.'
_cod_database_code               7701222
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