Synthesis and crystal structure of bis-(1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole-κ<i>N</i><sup>2</sup>){2,2'-[<i>N</i>-(phenyl-phospho-r-yl-methyl-κ<i>O</i>)aza-nedi-yl]di-acetato-κ<sup>3</sup><i>O</i>,<i>N</i>,<i>O</i>'}cobalt(II)-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole (1/1).
Du, Chao-Jun; Zhao, Xiao-Na; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1704–1707; doi:10.1107/S2056989017015079

data_2311494
_publ_section_title
;
 Synthesis and crystal structure of
 bis-(1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole-\k<i>N</i><sup>2</sup>){2,2'-[<i>N</i>-(phenyl-phospho-r-yl-methyl-\k<i>O</i>)aza-nedi-yl]di-acetato-\k<sup>3</sup><i>O</i>,<i>N</i>,<i>O</i>'}cobalt(II)-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole
 (1/1).
;
_journal_coeditor_code           XU5906
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1704
_journal_page_last               1707
_journal_paper_doi               10.1107/S2056989017015079
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Co (C11 H12 N O6 P) (C6 H5 N3)2], C6 H5 N3'
_chemical_formula_moiety         'C23 H22 Co N7 O6 P, C6 H5 N3'
_chemical_formula_sum            'C29 H27 Co N10 O6 P'
_chemical_formula_weight         701.50
_chemical_name_systematic
'Bis(1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole-\k<i>N</i>^2^){2,2'-[<i>N</i>-(phenylphosphorylmethyl-\k<i>O</i>)azanediyl]diacetato-\k^3^<i>O</i>,<i>N</i>,<i>O</i>'}cobalt(II)--1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole (1/1)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_cell_angle_alpha                97.351(3)
_cell_angle_beta                 102.335(3)
_cell_angle_gamma                91.206(3)
_cell_formula_units_Z            2
_cell_length_a                   7.5701(3)
_cell_length_b                   14.1261(4)
_cell_length_c                   14.9018(5)
_cell_measurement_reflns_used    7159
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.4322
_cell_measurement_theta_min      2.7521
_cell_volume                     1542.03(9)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2011)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2011)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2011)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 10.4170
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Agilent Xcalibur Atlas Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14339
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.103
_diffrn_reflns_theta_min         2.758
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.669
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90517
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis Pro; Agilent, 2011)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_description       block
_exptl_crystal_F_000             722
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.421
_refine_diff_density_min         -0.262
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         6722
_refine_ls_number_restraints     121
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0379
_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^)+(0.0420P)^2^+0.4782P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0971
_reflns_number_gt                5440
_reflns_number_total             6722
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            xu5906sup1.cif
_cod_data_source_block           I
_cod_database_code               2311494
_shelx_estimated_absorpt_t_min   0.824
_shelx_estimated_absorpt_t_max   0.878
_shelx_hkl_checksum              38295
_shelx_res_checksum              75200