Double stranded interwound infinite linear silver coordination network
Schmaltz, Bruno; Jouaiti, Abdelaziz; Hosseini, Mir Wais; De Cian, André; Chemical Communications  (2001) 1242–; doi:10.1039/b103824a

data_7115004
_publ_section_title
;
 Double stranded interwound infinite linear silver coordination network
;
_journal_issue                   14
_journal_name_full               'Chemical Communications'
_journal_page_first              1242
_journal_paper_doi               10.1039/b103824a
_journal_year                    2001
_chemical_formula_moiety         'C24 H32 Ag Cl N2 O13'
_chemical_formula_sum            'C24 H32 Ag Cl N2 O13'
_chemical_formula_weight         699.85
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.855(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.290(4)
_cell_length_b                   10.902(2)
_cell_length_c                   19.323(4)
_cell_measurement_reflns_used    9414
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.4
_cell_volume                     6554(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
;
   9414 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  115 frames
 Friedel pairs were averaged. Internal R = 0.04
;
_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  0.040
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9414
_diffrn_reflns_theta_max         27.43
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.756
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4632
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.42
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             2864
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.736
_refine_diff_density_min         -0.356
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   7.706
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     369
_refine_ls_number_reflns         2352
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.195
_refine_ls_R_factor_gt           0.077
_refine_ls_shift/esd_mean        0.003
_refine_ls_shift/su_max          0.026
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.547
_refine_ls_wR_factor_ref         0.115
_reflns_number_gt                2352
_reflns_number_total             6012
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            b103824a.txt
_cod_data_source_block           st891
_cod_original_cell_volume        6554(1)
_cod_database_code               7115004