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

data_7206478
_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         'C28 H60 N, C28 H60 N, Cu4 I6'
_chemical_formula_sum            'C56.744 H92.435 Cu4 I6 N2'
_chemical_formula_weight         1818.4
_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                 97.908(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.7445(6)
_cell_length_b                   20.9082(10)
_cell_length_c                   29.5195(19)
_cell_measurement_reflns_used    8916
_cell_measurement_temperature    100
_cell_measurement_theta_max      34.5379
_cell_measurement_theta_min      3.9898
_cell_volume                     7179.8(7)
_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 0.98
_diffrn_measured_fraction_theta_max 0.93
_diffrn_measurement_device_type  'Excalibur3 with Sapphire-3 CCD detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.4271
_diffrn_reflns_av_sigmaI/netI    0.6135
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            258133
_diffrn_reflns_theta_full        33.89
_diffrn_reflns_theta_max         34.68
_diffrn_reflns_theta_min         3.99
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.781
_exptl_absorpt_correction_T_max  0.903
_exptl_absorpt_correction_T_min  0.609
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'<i>CrysAlis RED</i> (Oxford Diffraction, 2008)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.6817
_exptl_crystal_description       Needle
_exptl_crystal_F_000             3496
_exptl_crystal_size_max          0.2396
_exptl_crystal_size_mid          0.0627
_exptl_crystal_size_min          0.0470
_refine_diff_density_max         17.59
_refine_diff_density_min         -12.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.02
_refine_ls_goodness_of_fit_ref   0.81
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_constraints    356
_refine_ls_number_parameters     343
_refine_ls_number_reflns         29009
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.3622
_refine_ls_R_factor_gt           0.0585
_refine_ls_shift/su_max          0.0208
_refine_ls_shift/su_mean         0.0008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0025000002I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1071
_refine_ls_wR_factor_ref         0.2141
_reflns_number_gt                4452
_reflns_number_total             29009
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            c1ce05118k.txt
_cod_data_source_block           (VII)
_cod_database_code               7206478