The first example of a coordination polymer from the expanded 4,4'-bipyridine ligand [Ru(pytpy)~2~]^2+^(pytpy = 4'-(4-pyridyl)-2,2':6',2''-terpyridine)
Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Price, David J.; CrystEngComm 9 (2007) 456–459; doi:10.1039/b703622a

data_7202877
_publ_section_title
;
 The first example of a coordination polymer from the expanded
 4,4'-bipyridine ligand [Ru(pytpy)~2~]^2+^(pytpy =
 4'-(4-pyridyl)-2,2':6',2''-terpyridine)
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_journal_coden_ASTM              CRECF4
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              456
_journal_page_last               459
_journal_paper_doi               10.1039/b703622a
_journal_volume                  9
_journal_year                    2007
_chemical_formula_sum            'C44 H36 Ag N13 O10 Ru'
_chemical_formula_weight         1115.80
_chemical_name_common            '[Ru(tpypy)2Ag(NO3)(MeCN)](NO3)2.H2O.MeCN'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.847(6)
_cell_angle_beta                 100.776(6)
_cell_angle_gamma                102.133(6)
_cell_formula_units_Z            2
_cell_length_a                   8.827(3)
_cell_length_b                   11.675(4)
_cell_length_c                   21.160(7)
_cell_measurement_reflns_used    966
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.907
_cell_measurement_theta_min      2.457
_cell_volume                     2065.6(12)
_computing_cell_refinement       'SMART (BrukerAXS, 1997)'
_computing_data_collection       'SMART (BrukerAXS, 1997)'
_computing_data_reduction        'SAINT+ (BrukerAXS, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            20550
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.07
_diffrn_reflns_theta_min         0.99
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         166
_exptl_absorpt_coefficient_mu    0.921
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.852750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker 1995'
_exptl_crystal_colour            'deep red'
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1124
_exptl_crystal_size_max          0.286
_exptl_crystal_size_mid          0.254
_exptl_crystal_size_min          0.024
_refine_diff_density_max         1.454
_refine_diff_density_min         -3.626
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     610
_refine_ls_number_reflns         9540
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0738P)^2^+6.1178P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1399
_reflns_number_gt                7552
_reflns_number_total             9540
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b703622a.txt
_cod_data_source_block           jb568aab
_cod_depositor_comments
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The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2065.7(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7202877