Copper(I) chelated by 2,9-dimethyl-1,10-phenanthroline and bridged by 4,4′-bipyridine or trans-1,2-bis(pyridin-4-yl)ethene to give discrete dinuclear and polymeric cations
Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter; Li, Wan-Sheung; Journal of the Chemical Society, Dalton Transactions  (1998) 909–; doi:10.1039/a708796i

data_7028156
_publ_contact_author
;
 Dr. P. Hubberstey
 Department of Chemistry
 University of Nottingham
 Nottingham
 NG7 2RD
;
_publ_section_title
;
 Copper(I) chelated by 2,9-dimethyl-1,10-phenanthroline and bridged by
 4,4&#x2032;-bipyridine or trans-1,2-bis(pyridin-4-yl)ethene to give
 discrete dinuclear and polymeric cations
;
_journal_issue                   6
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              909
_journal_paper_doi               10.1039/a708796i
_journal_year                    1998
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C26 H23 Cu1 N5 B1 F4 '
_chemical_formula_sum            'C26 H23 B Cu F4 N5'
_chemical_formula_weight         555.85
_chemical_melting_point          ?
_chemical_name_systematic
;
catena[(mu-4,4-bipyridine)(2,9-dimethyl-1,10-phenanthroline)copper(I)]
tetrafluoroborate acetonitrile solvate (1:1)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             97-07-17
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 95.32(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.399(2)
_cell_length_b                   25.186(5)
_cell_length_c                   11.874(2)
_cell_measurement_reflns_used    32
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      16.70
_cell_measurement_theta_min      12.55
_cell_volume                     2501.0(9)
_computing_cell_refinement       'STADI4 (Stoe & Cie 1995a)'
_computing_data_collection       'STADI4 (Stoe & Cie 1995a)'
_computing_data_reduction
;
X-RED (Stoe & Cie, 1995b)
CRYSTALS (Watkin et al, 1996)
;
_computing_molecular_graphics    'CAMERON (Watkin, Prout and Pearce, 1996)'
_computing_publication_material
;
CRYSTALS Issue 10 (Watkin et al, 1996)
;
_computing_structure_refinement
;
CRYSTALS Issue 10 (Watkin et al, 1996)
;
_computing_structure_solution    'SIR92 (Altomare, et al, 1994)'
_diffrn_ambient_temperature      150
_diffrn_measurement_device       'STOE STADI4 4-circle diffractometer D092'
_diffrn_measurement_method       \w-\q
_diffrn_radiation_detector       'NaI (Tl) scintillation counter'
_diffrn_radiation_monochromator  'planar graphite'
_diffrn_radiation_polarisn_norm  90.0
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_av_sigmaI/netI    0.0933
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5103
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.57
_diffrn_standards_decay_%        15
_diffrn_standards_interval_time  ' 60 mins'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.926
_exptl_absorpt_correction_T_max  0.864
_exptl_absorpt_correction_T_min  0.800
_exptl_absorpt_correction_type   'numerical integration'
_exptl_crystal_colour            ' red '
_exptl_crystal_density_diffrn    1.48
_exptl_crystal_density_meas      ?
_exptl_crystal_description       ' rhomboid tablet '
_exptl_crystal_F_000             1137
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.61
_refine_diff_density_min         -0.79
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_all   1.1372
_refine_ls_goodness_of_fit_obs   1.1372
_refine_ls_number_parameters     414
_refine_ls_number_reflns         4033
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_obs          0.0649
_refine_ls_shift/esd_max         0.063
_refine_ls_structure_factor_coef F**2
_refine_ls_wR_factor_all         0.0936
_refine_ls_wR_factor_obs         0.0756
_reflns_limit_h_max              9
_reflns_limit_h_min              -9
_reflns_limit_k_max              29
_reflns_limit_k_min              0
_reflns_limit_l_max              14
_reflns_limit_l_min              -12
_reflns_number_observed          4033
_reflns_number_total             4382
_reflns_observed_criterion       >2.00\s(I)
_cod_data_source_file            i708796sup1.cif
_cod_data_source_block           CRYSTALS_cif
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Monoclinic' changed to 'monoclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2501.1(8)
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_original_formula_sum        ' C26 H23 Cu1 N5 B1 F4 '
_cod_database_code               7028156