Molecular tectonics: infinite cationic double stranded helical coordination networks
Jouaiti, Abdelaziz; Hosseini, Mir Wais; Kyritsakas, Nathalie; Chemical Communications (Cambridge, United Kingdom)  (2003) 472–473; doi:10.1039/b211226b

data_7113543
_publ_section_title
;
 Molecular tectonics: infinite cationic double stranded helical
 coordination networks
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   4
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              472
_journal_page_last               473
_journal_paper_doi               10.1039/b211226b
_journal_year                    2003
_chemical_formula_moiety         'C20 H24 Ag B F4 N2 O7'
_chemical_formula_sum            'C20 H24 Ag B F4 N2 O7'
_chemical_formula_weight         599.10
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.0363(1)
_cell_length_b                   24.8375(3)
_cell_length_c                   10.0921(4)
_cell_measurement_reflns_used    8084
_cell_measurement_temperature    173
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      1.4
_cell_volume                     5022.3(2)
_computing_publication_material  CIFGEN_IN_OpenMoleN_(_1997)
_computing_structure_refinement  LSFM_OpenMoleN_(_1997)
_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      173
_diffrn_measurement_details
;
8084 reflections were collected using program Collect
("Collect" Data collection software, Nonius B.V., 1998)
The conditions were as follow : crystal to detector distance =  36. mm.
Scan angle =  0.4 deg 1 scans of   90 sec per frame.
Data collection was divided into  2 set(s)
with the following starting angles and number of frames :

Set 1 Theta =    8.80 Omega =    0.00 Kappa =    0.00  445 frames
Set 2 Theta =   -8.50 Kappa =  124.00 Phi   =    0.00  163 frames
Friedel pairs were averaged. Internal R = 0.05
;
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8084
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.874
_exptl_absorpt_correction_T_max  0.924
_exptl_absorpt_correction_T_min  0.898
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.58
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             2416
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.911
_refine_diff_density_min         -0.246
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   6.042
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     354
_refine_ls_number_reflns         3612
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.145
_refine_ls_R_factor_gt           0.067
_refine_ls_shift/esd_mean        0.002
_refine_ls_shift/su_max          0.017
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.429
_refine_ls_wR_factor_ref         0.079
_reflns_number_gt                3612
_reflns_number_total             8084
_reflns_threshold_expression     >3.0\s(I)
_cod_duplicate_entry             7103980
_cod_data_source_file            b211226b.txt
_cod_data_source_block           st1223
_cod_database_code               7113543