Novel Two- and Three-Dimensional Organometallic-Organic Hybrid Materials Based on Polyphosphorus Complexes.
Attenberger, Bianca; Peresypkina, Eugenia V.; Scheer, Manfred; Inorganic chemistry 54 (2015) 7021–7029; doi:10.1021/acs.inorgchem.5b01048

data_4343459
_publ_section_title
;
 Novel Two- and Three-Dimensional Organometallic-Organic Hybrid Materials
 Based on Polyphosphorus Complexes.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7021
_journal_page_last               7029
_journal_paper_doi               10.1021/acs.inorgchem.5b01048
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C42.3 H20.6 Ag Al Cl0.6 F36 Mo2 N2 O8 P2'
_chemical_formula_weight         1778.75
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.821(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.7262(8)
_cell_length_b                   34.1911(11)
_cell_length_c                   19.0465(6)
_cell_measurement_reflns_used    16862
_cell_measurement_temperature    123.0(2)
_cell_measurement_theta_max      73.3240
_cell_measurement_theta_min      3.1730
_cell_volume                     11609.7(8)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.3546
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_sigmaI/netI    0.0577
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            51335
_diffrn_reflns_theta_full        67.50
_diffrn_reflns_theta_max         74.43
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    8.658
_exptl_absorpt_correction_T_max  0.732
_exptl_absorpt_correction_T_min  0.305
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.035
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             6885
_exptl_crystal_size_max          0.1891
_exptl_crystal_size_mid          0.1511
_exptl_crystal_size_min          0.0322
_refine_diff_density_max         1.476
_refine_diff_density_min         -1.832
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2106
_refine_ls_number_reflns         22524
_refine_ls_number_restraints     1024
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0645
_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^)+(0.1253P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1722
_refine_ls_wR_factor_ref         0.1849
_reflns_number_gt                15963
_reflns_number_total             22524
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01048_si_005.cif
_cod_data_source_block           isor
_cod_depositor_comments
'Adding full bibliography for 4343458--4343460.cif.'
_cod_original_cell_volume        11609.7(7)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C42.30 H20.60 Ag Al Cl0.60 F36 Mo2 N2 O8 P2'
_cod_database_code               4343459