Trapping a Discrete [R2Sn(μ-OH)SnR2] Motif. Synthesis and Structural Characterization of [{(Phen)(NO3)Me2Sn(μ-OH)SnMe2(NO3)(Phen)}{NO3}] (Phen = 1,10-Phenanthroline)
Chandrasekhar, Vadapalli; Singh, Puja; Organometallics 27 (2008) 4083–; doi:10.1021/om800359b

data_4071754
_publ_section_title
;
 Trapping a Discrete [R2Sn(\m-OH)SnR2] Motif. Synthesis and Structural
 Characterization of [{(Phen)(NO3)Me2Sn(\m-OH)SnMe2(NO3)(Phen)}{NO3}]
 (Phen = 1,10-Phenanthroline)
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4083
_journal_paper_doi               10.1021/om800359b
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C28 H29 N7 O10 Sn2'
_chemical_formula_sum            'C28 H29 N7 O10 Sn2'
_chemical_formula_weight         860.96
_chemical_name_common            'organotin nitrate'
_chemical_name_systematic
;
 ?
;
_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                90.1210(10)
_cell_angle_beta                 98.3850(10)
_cell_angle_gamma                101.5990(10)
_cell_formula_units_Z            2
_cell_length_a                   11.0753(7)
_cell_length_b                   12.0391(8)
_cell_length_c                   12.0906(8)
_cell_measurement_reflns_used    7014
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.35
_cell_volume                     1561.50(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0144
_diffrn_reflns_av_sigmaI/netI    0.0290
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8060
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         4.14
_exptl_absorpt_coefficient_mu    1.668
_exptl_absorpt_correction_T_max  0.8509
_exptl_absorpt_correction_T_min  0.7315
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'pale pink'
_exptl_crystal_density_diffrn    1.831
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.600
_refine_diff_density_min         -0.472
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     432
_refine_ls_number_reflns         5403
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0242
_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^)+(0.0238P)^2^+3.4324P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0665
_reflns_number_gt                5159
_reflns_number_total             5403
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800359b-file002.cif
_cod_data_source_block           16mayfm
_cod_depositor_comments
;
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4071754