Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.
Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 9643–9656; doi:10.1039/c8dt01523f

data_7046832
_publ_section_title
;
 Playing with Pearson's concept: orthogonally functionalized
 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9643
_journal_page_last               9656
_journal_paper_doi               10.1039/c8dt01523f
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C80 H68 Cl8 N4 O4 P4 Zn4'
_chemical_formula_weight         1818.34
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_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
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_atom_sites_solution_primary     direct
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_audit_update_record
;
2018-04-10 deposited with the CCDC.
2018-06-21 downloaded from the CCDC.
;
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_computing_structure_solution    'SIR92 (Giacovazzo et al., 1994)'
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_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0305
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_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            19915
_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_max         62.692
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_diffrn_source                   'fine-focus sealed X-ray tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_description       'transparent plate'
_exptl_crystal_F_000             3696
_exptl_crystal_size_max          0.313
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.188
_refine_diff_density_max         6.166
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.54(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8477
_refine_ls_number_restraints     1
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_refine_ls_R_factor_all          0.0996
_refine_ls_R_factor_gt           0.0978
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1758P)^2^+91.4745P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2683
_refine_ls_wR_factor_ref         0.2712
_reflns_Friedel_coverage         0.953
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                8257
_reflns_number_total             8477
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01523f2.cif
_cod_data_source_block           shelx_CCDC8
_cod_depositor_comments
'Adding full bibliography for 7046824--7046832.cif.'
_cod_database_code               7046832
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.310
_shelx_estimated_absorpt_t_max   0.460
_shelx_res_checksum              40915