Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains.
Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B.; Dalton transactions (Cambridge, England : 2003) 41 (2012) 6992–6997; doi:10.1039/c2dt30156c

data_7019290
_publ_section_title
;
 Heterobimetallic lanthanide-gold coordination polymers: structure and
 emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)]
 1-D chains.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6992
_journal_page_last               6997
_journal_paper_doi               10.1039/c2dt30156c
_journal_volume                  41
_journal_year                    2012
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C2 Au Eu N6 O12, 2(C16 H36 N)'
_chemical_formula_sum            'C34 H72 Au Eu N8 O12'
_chemical_formula_weight         1133.92
_chemical_name_systematic        ?
_space_group_IT_number           24
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'I 2b 2c'
_symmetry_space_group_name_H-M   'I 21 21 21'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0175(13)
_cell_length_b                   12.0203(14)
_cell_length_c                   35.042(4)
_cell_measurement_reflns_used    9879
_cell_measurement_temperature    293
_cell_measurement_theta_max      29.06
_cell_measurement_theta_min      2.32
_cell_volume                     5062.0(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution
;
SIR92 (Altomare et al, 1994)
CRYSTALS (Watkin, 1988)
;
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7762
_diffrn_reflns_theta_full        30.662
_diffrn_reflns_theta_max         30.662
_diffrn_reflns_theta_min         1.791
_exptl_absorpt_coefficient_mu    4.179
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6066
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_description       Block
_exptl_crystal_F_000             2280
_exptl_crystal_size_max          0.284
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.228
_refine_diff_density_max         1.79
_refine_diff_density_min         -0.53
_refine_ls_abs_structure_details 'Flack (1983), 3459 Friedel-pairs'
_refine_ls_abs_structure_Flack   0.29(4)
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0644
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         6418
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0230
_refine_ls_shift/su_max          0.0007397
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982)
[weight] = 1.0/[A~0~*T~0~(x)+A~1~*T~1~(x) ... +A~n-1~]*T~n-1~(x)]
where A~i~ are the Chebychev coefficients listed below and x= Fcalc/Fmax
Method = Robust Weighting (Prince, 1982)
W = [weight] * [1-(deltaF/6*sigmaF)^2^]^2^
A~i~ are:
0.227 0.220 0.189 0.852E-01 0.309E-01
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0472
_refine_ls_wR_factor_gt          0.0196
_refine_ls_wR_factor_ref         0.0194
_reflns_limit_h_max              17
_reflns_limit_h_min              -17
_reflns_limit_k_max              17
_reflns_limit_k_min              0
_reflns_limit_l_max              49
_reflns_limit_l_min              0
_reflns_number_gt                6566
_reflns_number_total             7762
_reflns_threshold_expression     I>2.0\s(I)
_oxford_diffrn_Wilson_B_factor   3.81
_oxford_diffrn_Wilson_scale      296.81
_oxford_refine_ls_r_factor_ref   0.0225
_oxford_refine_ls_scale          0.06307(4)
_oxford_reflns_number_all        7762
_oxford_reflns_threshold_expression_ref I>2.5\s(I)
_cod_data_source_file            c2dt30156c.txt
_cod_data_source_block           2-Eu
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'I 21 21 21 '
_cod_original_formula_sum        'C34 H72 Au1 Eu1 N8 O12'
_cod_database_code               7019290