On the coordination non-innocence of antimony in nickel(ii) complexes of the tetradentate (o-(Ph2P)C6H4)3Sb ligand.
Jones, J. Stuart; Wade, Casey R.; Yang, Mengxi; Gabbaï, François P; Dalton transactions (Cambridge, England : 2003) 46 (2017) 5598–5604; doi:10.1039/c6dt04817j

data_7041925
_publ_section_title
;
 On the coordination non-innocence of antimony in nickel(ii) complexes of
 the tetradentate (o-(Ph2P)C6H4)3Sb ligand.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5598
_journal_page_last               5604
_journal_paper_doi               10.1039/c6dt04817j
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C54 H42 Cl Ni P4, 2(C H Cl3), Cl'
_chemical_formula_sum            'C56 H44 Cl8 Ni P4'
_chemical_formula_weight         1183.10
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-12-20
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2017-01-31 deposited with the CCDC.
2017-02-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.711(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.6557(13)
_cell_length_b                   21.8350(18)
_cell_length_c                   33.334(3)
_cell_measurement_reflns_used    9778
_cell_measurement_temperature    110
_cell_measurement_theta_max      26.60
_cell_measurement_theta_min      2.23
_cell_volume                     12062.6(17)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            178111
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.797
_diffrn_reflns_theta_min         1.116
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.816
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1068 before and 0.0605 after correction.
The Ratio of minimum to maximum transmission is 0.7913.
The \l/2 correction factor is 0.00150.
;
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_description       plate
_exptl_crystal_F_000             4832
_exptl_crystal_size_max          0.87
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.141
_refine_diff_density_min         -1.558
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1243
_refine_ls_number_reflns         25685
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0597
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0387P)^2^+52.0073P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1414
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20921
_reflns_number_total             25685
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt04817j2.cif
_cod_data_source_block           y_sq
_cod_depositor_comments
'Adding full bibliography for 7041921--7041925.cif.'
_cod_original_cell_volume        12062.5(16)
_cod_database_code               7041925
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Ternary CH refined with riding coordinates:
 C111(H111), C112(H112), C109(H109), C110(H110)
2.b Aromatic/amide H refined with riding coordinates:
 C21(H21), C6(H6), C41(H41), C39(H39), C42(H42), C36(H36), C24(H24), C5(H5),
 C12(H12), C22(H22), C34(H34), C16(H16), C8(H8), C3(H3), C23(H23), C50(H50),
 C32(H32), C35(H35), C18(H18), C14(H14), C17(H17), C11(H11), C30(H30), C4(H4),
 C40(H40), C33(H33), C10(H10), C52(H52), C29(H29), C45(H45), C44(H44), C46(H46),
  C26(H26), C54(H54), C48(H48), C28(H28), C27(H27), C53(H53), C51(H51),
 C15(H15), C47(H47), C9(H9), C57(H57), C95(H95), C75(H75), C60(H60), C66(H66),
 C93(H93), C78(H78), C58(H58), C96(H96), C63(H63), C102(H102), C77(H77),
 C72(H72), C59(H59), C62(H62), C94(H94), C65(H65), C80(H80), C68(H68), C90(H90),
  C100(H100), C88(H88), C87(H87), C83(H83), C76(H76), C81(H81), C64(H64),
 C98(H98), C70(H70), C84(H84), C101(H101), C71(H71), C108(H108), C69(H69),
 C86(H86), C89(H89), C82(H82), C105(H105), C107(H107), C104(H104), C106(H106),
 C99(H99)
;
_shelx_res_checksum              84975
_shelx_fab_checksum              1414
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'