Synthesis and characterisation of zinc(ii) complexes of tripodal N7 ligands involving pyridine and amine or amide nitrogen donors. Crystal structure of a zinc(ii) complex
Mohamadou, Aminou; GÃ©rard, Christian; Journal of the Chemical Society, Dalton Transactions  (2001) 3320–; doi:10.1039/b104777a

data_7702655
_publ_section_title
;
 Synthesis and characterisation of zinc(ii) complexes of tripodal N7
 ligands involving pyridine and amine or amide nitrogen donors. Crystal
 structure of a zinc(ii) complex
;
_journal_issue                   22
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3320
_journal_paper_doi               10.1039/b104777a
_journal_year                    2001
_chemical_formula_moiety         'C24 H28 Cl N7 O7'
_chemical_formula_sum            'C24 H28 Cl N7 O7'
_chemical_formula_weight         561.99
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.696(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3724(1)
_cell_length_b                   27.1686(6)
_cell_length_c                   13.3039(3)
_cell_measurement_reflns_used    10162
_cell_measurement_temperature    294
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.4
_cell_volume                     2618.44(10)
_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      294
_diffrn_measurement_details
;
10162 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 ==  2.0 deg 1 scans of   40 sec per frame.
Data collection was divided into  2 set(s)
with the following starting angles and number of frames :

Set 1 Theta ==    6.30 Omega ==    0.00 Kappa ==    0.00  151 frames
Set 2 Theta ==   -6.10 Kappa == -141.00 Phi   ==    0.00   30 frames
Friedel pairs were not 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       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10162
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.204
_exptl_absorpt_correction_T_max  '? =='
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.43
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.951
_refine_diff_density_min         '-0.263 =='
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.124
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     370
_refine_ls_number_reflns         2803
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.123
_refine_ls_R_factor_gt           0.056
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.203
_refine_ls_wR_factor_ref         0.070
_reflns_number_gt                2803
_reflns_number_total             6140
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            b104777a.txt
_cod_data_source_block
'global_for_Protonated_TRENPICAM_[HTRENPICAM](ClO4).'
_cod_original_cell_volume        2618.44(9)
_cod_database_code               7702655