Crystal structure of cis-diamminebis(nitrito-κN)platinum(II).
Kahlenberg, Volker; Gelbrich, Thomas; Tessadri, Richard; Klauser, Frederik; Acta crystallographica. Section E, Crystallographic communications 71 (2015) 366–370; doi:10.1107/S2056989015004879

data_2311280
_publ_section_title
;
 Crystal structure of cis-diamminebis(nitrito-\kN)platinum(II).
;
_journal_coeditor_code           WM5133
_journal_issue                   'Pt 4'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              366
_journal_page_last               370
_journal_paper_doi               10.1107/S2056989015004879
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Pt (N O2)2 (N H3)2]'
_chemical_formula_moiety         'H6 N4 O4 Pt'
_chemical_formula_sum            'H6 N4 O4 Pt'
_chemical_formula_weight         321.18
_chemical_name_systematic
;
i>cis</i>-Diamminebis(nitrito-\k<i>N</i>)platinum(II)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 110.579(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8656(5)
_cell_length_b                   12.6428(8)
_cell_length_c                   7.0931(5)
_cell_measurement_reflns_used    2142
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.4759
_cell_measurement_theta_min      3.4585
_cell_volume                     576.40(8)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_molecular_graphics
;
ATOMS for Windows (Dowty, 2011), ORTEP-3 for Windows (Farrugia,
2012),
Mercury (Macrae <i>et al.</i>,  2006) and <i>TOPOS</i> (Blatov,
2006)
;
_computing_publication_material
;
PLATON (Spek, 2009), publCIF (Westrip, 2010) and WinGX
(Farrugia, 2012)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR2002 (Burla <i>et al.</i>,  2003)
;
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 10.3575
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Agilent Xcalibur (Ruby, Gemini ultra)'
_diffrn_measurement_method       '\w 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  0.031
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            3435
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.47
_exptl_absorpt_coefficient_mu    24.297
_exptl_absorpt_correction_T_max  0.609
_exptl_absorpt_correction_T_min  0.036
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
[CrysAlis PRO (Agilent, 2014), based on expressions derived by
Clark & Reid (1995)]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.701
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.021
_refine_diff_density_min         -0.916
_refine_ls_extinction_coef       0.0024(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2014 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     85
_refine_ls_number_reflns         1061
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0182
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0222P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0427
_refine_ls_wR_factor_ref         0.0442
_reflns_number_gt                972
_reflns_number_total             1061
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm5133sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        576.40(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2311280
_shelx_hkl_checksum              71879
_shelx_res_checksum              73293
_shelxl_version_number           2014/6