A new octupolar material for quadratic nonlinear optics: tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)
Evans, Cara C.; Masse, René; Nicoud, Jean-François; Bagieu-Beucher, Muriel; Journal of Materials Chemistry 10 (2000) 1419–; doi:10.1039/b000417k

data_7203962
_publ_section_title
;
 A new octupolar material for quadratic nonlinear optics:
 tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)
;
_journal_issue                   6
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1419
_journal_paper_doi               10.1039/b000417k
_journal_volume                  10
_journal_year                    2000
_chemical_formula_moiety         'C32 H22 Cl2 N6 O6 Zn '
_chemical_formula_sum            'C32 H22 Cl2 N6 O6 Zn'
_chemical_formula_weight         722.85
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_symmetry_cell_setting           triclinic
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_alpha                94.180(3)
_cell_angle_beta                 109(1)
_cell_angle_gamma                106.026(3)
_cell_formula_units_Z            2
_cell_length_a                   11.2655(6)
_cell_length_b                   16.7247(8)
_cell_length_c                   9.6229(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1621(12)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan for Windows (MSC, 1997)'
_computing_publication_material  'teXsan for Windows (MSC, 1997)'
_computing_structure_refinement  'teXsan for Windows (MSC, 1997)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1993)
;
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Nonius Kappa-CCD'
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_diffrn_radiation_detector       'CCD Camera'
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_diffrn_standards_decay_%        0.00
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_exptl_absorpt_coefficient_mu    0.517
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
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_exptl_crystal_density_meas      ?
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)]'
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_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            b000417k.txt
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_cod_original_cell_volume        1616(6)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C32 H22 Cl2 N6 O6 Zn '
_cod_database_code               7203962