Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems
Jalilian, Ehsan; Lidin, Sven; CrystEngComm 13 (2011) 5730–; doi:10.1039/c1ce05118k

data_7206477
_publ_section_title
;
 Size matters---sometimes. The
 [CuxIy](y&#x2212;x)&#x2212;(NR4)+(y&#x2212;x) systems
;
_journal_issue                   19
_journal_name_full               CrystEngComm
_journal_page_first              5730
_journal_paper_doi               10.1039/c1ce05118k
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'N6 C144, Cu17 I23'
_chemical_formula_sum            'C144 H312 Cu17 I23 N6'
_chemical_formula_weight         6127.2
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.4321(15)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.5502(3)
_cell_length_b                   18.6851(3)
_cell_length_c                   28.3015(6)
_cell_measurement_reflns_used    20180
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.0447
_cell_measurement_theta_min      3.6264
_cell_volume                     10335.2(3)
_computing_cell_refinement
'<i>CrysAlis RED</i> (Oxford Diffraction, 2008)'
_computing_data_collection
'<i>CrysAlis CCD</i> (Oxford Diffraction, 2008)'
_computing_data_reduction
'<i>CrysAlis RED</i> (Oxford Diffraction, 2008)'
_computing_molecular_graphics    '<i>Diamond</i> (Brandenburg, 1999)'
_computing_publication_material
'<i>Jana2000</i> (Petricek, Dusek & Palatinus, 2000)'
_computing_structure_refinement
'<i>Jana2000</i> (Petricek, Dusek & Palatinus, 2000)'
_computing_structure_solution    '<i>Superflip</i> (Oszlanyi & Suto, 2004)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 16.5467
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.95
_diffrn_measurement_device_type  'Excalibur3 with Sapphire-3 CCD'
_diffrn_measurement_method       '\w scans at diffrent \f'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Fine- focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0843
_diffrn_reflns_av_sigmaI/netI    0.1642
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            99289
_diffrn_reflns_theta_full        31.37
_diffrn_reflns_theta_max         28.0447
_diffrn_reflns_theta_min         3.6264
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.183
_exptl_absorpt_correction_T_max  0.836
_exptl_absorpt_correction_T_min  0.387
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'<i>CrysAlis RED</i> (Oxford Diffraction, 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.96825
_exptl_crystal_description       Flakes
_exptl_crystal_F_000             4468
_exptl_crystal_size_max          0.3302
_exptl_crystal_size_mid          0.2298
_exptl_crystal_size_min          0.0432
_exptl_crystal_size_rad          0.2298
_refine_diff_density_max         3.52
_refine_diff_density_min         -2.17
_refine_ls_extinction_coef       -648
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    2.88
_refine_ls_goodness_of_fit_ref   1.81
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_parameters     681
_refine_ls_number_reflns         23113
_refine_ls_R_factor_all          0.2161
_refine_ls_R_factor_gt           0.0881
_refine_ls_shift/su_max          0.0275
_refine_ls_shift/su_mean         0.0007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0016I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1992
_refine_ls_wR_factor_ref         0.2155
_reflns_number_gt                8124
_reflns_number_total             23113
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            c1ce05118k.txt
_cod_data_source_block           (VI)
_cod_database_code               7206477