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_7103981
_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         'C54 H69 Ag2 Cl F12 N4 O18 P2'
_chemical_formula_sum            'C54 H69 Ag2 Cl F12 N4 O18 P2'
_chemical_formula_weight         1603.29
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             12-12-02
_cell_angle_alpha                93.081(5)
_cell_angle_beta                 95.122(5)
_cell_angle_gamma                91.961(5)
_cell_formula_units_Z            2
_cell_length_a                   9.7761(2)
_cell_length_b                   16.3455(3)
_cell_length_c                   21.3158(4)
_cell_measurement_reflns_used    20445
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.4
_cell_volume                     3385.0(1)
_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
;
20445 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 =  1.8 deg 1 scans of   60 sec per frame.
Data collection was divided into  1 set(s)
with the following starting angles and number of frames :

Set 1 Theta =    6.30 Omega =    0.00 Kappa =    0.00  107 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       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            20445
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.766
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.57
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1628
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.452
_refine_diff_density_min         -0.337
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   4.571
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    36
_refine_ls_number_parameters     794
_refine_ls_number_reflns         9409
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.136
_refine_ls_R_factor_gt           0.085
_refine_ls_shift/esd_mean        0.010
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.379
_refine_ls_wR_factor_ref         0.111
_reflns_number_gt                9409
_reflns_number_total             15220
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            b211226b.txt
_cod_data_source_block           st999
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7103981