Copper(i) coordination polymers and mononuclear copper(i) complexes built from poly(1,2,4-triazolyl)borate ligands and tri-organophosphines
Lobbia, Giancarlo Gioia; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; Somers, Neil; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (2002) 2333–; doi:10.1039/B200200K

data_7011465
_publ_section_title
;
 Copper(i) coordination polymers and mononuclear copper(i) complexes
 built from poly(1,2,4-triazolyl)borate ligands and
 tri-organophosphines
;
_journal_issue                   11
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2333
_journal_paper_doi               10.1039/B200200K
_journal_year                    2002
_chemical_formula_sum            'C27.5 H28.5 B Cl1.5 Cu N9 P'
_chemical_formula_weight         643.6
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             01-09-28
_audit_creation_method           Xtal3.6
_cell_angle_alpha                90.00000
_cell_angle_beta                 95.611(8)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   15.708(5)
_cell_length_b                   14.299(4)
_cell_length_c                   27.283(8)
_cell_measurement_reflns_used    7379
_cell_measurement_temperature    153
_cell_measurement_theta_max      19.3
_cell_measurement_theta_min      1.8
_cell_volume                     6099(3)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      153
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .105
_diffrn_reflns_av_sigmaI/netI    .12
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            62156
_diffrn_reflns_theta_max         31.25
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .935
_exptl_absorpt_correction_T_max  .83
_exptl_absorpt_correction_T_min  .49
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_description       prism
_exptl_crystal_F_000             2648
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .16
_refine_diff_density_max         1.39
_refine_diff_density_min         -1.116
_refine_ls_goodness_of_fit_all   1.228
_refine_ls_goodness_of_fit_ref   1.383
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           atomblock
_refine_ls_number_constraints    0
_refine_ls_number_parameters     375
_refine_ls_number_reflns         3583
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          .105
_refine_ls_R_factor_gt           .075
_refine_ls_shift/su_max          .04
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .084
_refine_ls_wR_factor_ref         .078
_reflns_d_resolution_high        .685
_reflns_d_resolution_low         13.539
_reflns_Friedel_coverage         0
_reflns_limit_h_max              22
_reflns_limit_h_min              0
_reflns_limit_k_max              20
_reflns_limit_k_min              0
_reflns_limit_l_max              39
_reflns_limit_l_min              -39
_reflns_number_gt                6369
_reflns_number_total             9944
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b200200k.txt
_cod_data_source_block           cpdar2
_cod_original_sg_symbol_Hall     -c_2yc
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C27.5 H28.5 B1 Cl1.5 Cu1 N9 P1'
_cod_database_code               7011465