Controlling the formation of discrete complexes or a 1-D directional coordination network by the binding ability of anions
Jouaiti, Abdelaziz; Jullien, Valérie; Hosseini, Mir Wais; Planeix, Jean-Marc; De Cian, André; Chemical Communications  (2001) 1114–; doi:10.1039/b102042k

data_7114895
_publ_section_title
;
 Controlling the formation of discrete complexes or a 1-D directional
 coordination network by the binding ability of anions
;
_journal_issue                   12
_journal_name_full               'Chemical Communications'
_journal_page_first              1114
_journal_paper_doi               10.1039/b102042k
_journal_year                    2001
_chemical_formula_moiety         'C46 H30 Cl8 Co N8 O8'
_chemical_formula_sum            'C46 H30 Cl8 Co N8 O8'
_chemical_formula_weight         1165.36
_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'
_audit_creation_date             15-02-01
_cell_angle_alpha                90
_cell_angle_beta                 104.779(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8059(2)
_cell_length_b                   34.3527(7)
_cell_length_c                   16.8241(4)
_cell_measurement_reflns_used    8787
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.4
_cell_volume                     4921.0(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
;
8787 reflections were collected using program Collect
("Collect" Data collection software, Nonius B.V., 1998)
The conditions were as follow : crystal to detector distance =  42. mm.
Scan angle =  0.9 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  227 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       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8787
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.845
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.57
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             2356
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.347
_refine_diff_density_min         -0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   13.576
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     649
_refine_ls_number_reflns         3744
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.189
_refine_ls_R_factor_gt           0.077
_refine_ls_shift/esd_mean        0.001
_refine_ls_shift/su_max          0.008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.555
_refine_ls_wR_factor_ref         0.087
_reflns_number_gt                3744
_reflns_number_total             8787
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            b102042k.txt
_cod_data_source_block           st832
_cod_database_code               7114895