Tin(ii) oxide carbodiimide and its relationship to SnO.
Dolabdjian, Konstantin; Görne, Arno L; Dronskowski, Richard; Ströbele, Markus; Meyer, Hans-Jürgen; Dalton transactions (Cambridge, England : 2003) 47 (2018) 13378–13383; doi:10.1039/c8dt02747a

data_7047527
_publ_section_title
;
 Tin(ii) oxide carbodiimide and its relationship to SnO.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13378
_journal_page_last               13383
_journal_paper_doi               10.1039/c8dt02747a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C N2 O Sn2'
_chemical_formula_weight         293.41
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-29 deposited with the CCDC.
2018-08-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3949(7)
_cell_length_b                   5.2954(3)
_cell_length_c                   5.5369(2)
_cell_measurement_reflns_used    6569
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.163
_cell_measurement_theta_min      3.042
_cell_volume                     392.74(3)
_computing_cell_refinement       'STOE IPDS-Software'
_computing_data_collection       'STOE IPDS-Software'
_computing_data_reduction        'STOE IPDS-Software'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'STOE IPDSIIT'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_unetI/netI     0.0069
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            6569
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.163
_diffrn_reflns_theta_min         3.042
_exptl_absorpt_coefficient_mu    12.531
_exptl_absorpt_correction_T_max  0.4031
_exptl_absorpt_correction_T_min  0.2831
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'STOE 1997'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    4.962
_exptl_crystal_description       block
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       0.0025(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.296
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     31
_refine_ls_number_reflns         526
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.296
_refine_ls_R_factor_all          0.0146
_refine_ls_R_factor_gt           0.0134
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0069P)^2^+0.6908P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0254
_refine_ls_wR_factor_ref         0.0256
_reflns_Friedel_coverage         0.000
_reflns_number_gt                510
_reflns_number_total             526
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt02747a2.cif
_cod_data_source_block           Sn2OCN2
_cod_depositor_comments          'Adding full bibliography for 7047527.cif.'
_cod_database_code               7047527
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              98423