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_7114314
_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         'C53 H30 Cl2 Mn2 N2 O6'
_chemical_formula_sum            'C53 H30 Cl2 Mn2 N2 O6'
_chemical_formula_weight         971.62
_chemical_name_systematic        ' ?'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.8379(2)
_cell_length_b                   35.4532(3)
_cell_length_c                   16.3323(5)
_cell_measurement_temperature    173
_cell_volume                     8591.6(3)
_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
;
19157 reflections were collected using program Collect
("Collect" Data collection software, Nonius B.V., 1998)
The conditions were as follow : crystal to detector distance =  43. mm.
Scan angle =  2.0 deg 1 scans of   50 sec per frame.
Data collection was divided into  2 set(s)
with the following starting angles and number of frames :

Set 1 Theta =    8.80 Omega =    0.00 Kappa =    0.00  224 frames
Set 2 Theta =   -8.80 Kappa = -150.00 Phi   =    0.00   41 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       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            19157
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.769
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8063
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.50
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             3952
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.589
_refine_diff_density_min         -0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   15.033
_refine_ls_goodness_of_fit_ref   1.415
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     586
_refine_ls_number_reflns         3614
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.158
_refine_ls_R_factor_gt           0.051
_refine_ls_shift/esd_mean        0.001
_refine_ls_shift/su_max          0.017
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.321
_refine_ls_wR_factor_ref         0.082
_reflns_number_gt                3614
_reflns_number_total             10687
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            b111570g.txt
_cod_data_source_block           1d
_cod_database_code               7114314