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

data_7206475
_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
'C48 Cu7 I11 N3, 2(Cu6 I9),Cu7 I11, C32 N2, 9(C16 N)'
_chemical_formula_sum            'C217.5 Cu26 I40 N14'
_chemical_formula_weight         9536.9
_chemical_name_systematic        ' ?'
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.8109
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.8265(4)
_cell_length_b                   24.8265(4)
_cell_length_c                   55.983(8)
_cell_measurement_reflns_used    70799
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.9937
_cell_measurement_theta_min      3.7321
_cell_volume                     33646(5)
_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 16.0
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.93
_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  0.1208
_diffrn_reflns_av_sigmaI/netI    0.1243
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       75
_diffrn_reflns_limit_l_min       -75
_diffrn_reflns_number            146556
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         29.02
_diffrn_reflns_theta_min         3.74
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.311
_exptl_absorpt_correction_T_max  0.686
_exptl_absorpt_correction_T_min  0.146
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'<i>CrysAlis RED</i> (Oxford Diffraction, 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.8821
_exptl_crystal_description       flake
_exptl_crystal_F_000             17108
_exptl_crystal_size_max          0.5590
_exptl_crystal_size_mid          0.4520
_exptl_crystal_size_min          0.0854
_exptl_crystal_size_rad          0.4520
_refine_diff_density_max         29.97
_refine_diff_density_min         -26.71
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    3.16
_refine_ls_goodness_of_fit_ref   2.61
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_constraints    235
_refine_ls_number_parameters     986
_refine_ls_number_reflns         146556
_refine_ls_number_restraints     407
_refine_ls_R_factor_all          0.1254
_refine_ls_R_factor_gt           0.0913
_refine_ls_shift/su_max          0.0373
_refine_ls_shift/su_mean         0.0049
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0947
_refine_ls_wR_factor_ref         0.0963
_reflns_number_gt                88992
_reflns_number_total             146556
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            c1ce05118k.txt
_cod_data_source_block           (IV)
_cod_database_code               7206475