Expression of the prohelicity of bis-cyclomanganated 2,3-diphenylquinoxaline through reactions with diaryldiazomethanesElectronic supplementary information (ESI) available: preparation procedure and spectroscopic data for 1b‒d, crystal data for polymer 1e. See http://www.rsc.org/suppdata/cc/b1/b111570g
de Cian, André; Djukic, Jean-Pierre; Fischer, Jean; Pfeffer, Michel; Dötz, Karl Heinz; Chemical Communications  (2002) 638–; doi:10.1039/b111570g

data_7114315
_publ_section_title
;
 Expression of the prohelicity of bis-cyclomanganated
 2,3-diphenylquinoxaline through reactions with
 diaryldiazomethanesElectronic supplementary information (ESI) available:
 preparation procedure and spectroscopic data for 1b--d, crystal data for
 polymer 1e. See http://www.rsc.org/suppdata/cc/b1/b111570g
;
_journal_issue                   6
_journal_name_full               'Chemical Communications'
_journal_page_first              638
_journal_paper_doi               10.1039/b111570g
_journal_year                    2002
_chemical_formula_moiety         'C55 H39 Ag B F4 Mn2 N2 O9'
_chemical_formula_sum            'C55 H39 Ag B F4 Mn2 N2 O9'
_chemical_formula_weight         1176.48
_chemical_name_systematic        ' ?'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.6186(5)
_cell_length_b                   15.1375(7)
_cell_length_c                   25.032(1)
_cell_measurement_reflns_used    11811
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.4
_cell_volume                     5160.4(4)
_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
;
11811 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 =    6.30 Omega =    0.00 Kappa =    0.00  598 frames
Set 2 Theta =   -6.30 Kappa =  139.00 Phi   =    0.00  153 frames
Friedel pairs were not averaged. Internal R = 0.07
;
_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  0.070
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            11811
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.930
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.8920
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.51
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             2372
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.959
_refine_diff_density_min         -0.213
_refine_ls_abs_structure_details 'Flack H D  (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   22.454
_refine_ls_goodness_of_fit_ref   1.513
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     634
_refine_ls_number_reflns         3656
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.113
_refine_ls_R_factor_gt           0.058
_refine_ls_shift/esd_mean        0.002
_refine_ls_shift/su_max          0.010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.897
_refine_ls_wR_factor_ref         0.080
_reflns_number_gt                3656
_reflns_number_total             6521
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            b111570g.txt
_cod_data_source_block           1e
_cod_original_cell_volume        5160.5(4)
_cod_original_sg_symbol_Hall     ' P 2ac 2ab'
_cod_database_code               7114315