<i>cis</i>-Bis[(1-adamantylmethyl)amine-κ<i>N</i>]dichloridoplatinum(II) <i>N</i>,<i>N</i>-dimethylformamide solvate
Rochon, Fernande D.; Tessier, Christian; Acta Crystallographica Section E 65 (2009) m1297–m1298; doi:10.1107/S1600536809037982

data_2223844
_publ_section_title
;
 <i>cis</i>-Bis[(1-adamantylmethyl)amine-\k<i>N</i>]dichloridoplatinum(II)
 <i>N</i>,<i>N</i>-dimethylformamide solvate
;
_journal_coeditor_code           HY2221
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1297
_journal_page_last               m1298
_journal_paper_doi               10.1107/S1600536809037982
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Pt Cl2 (C11 H19 N)2], C3 H7 N O'
_chemical_formula_moiety         'C22 H38 Cl2 N2 Pt, C3 H7 N O'
_chemical_formula_sum            'C25 H45 Cl2 N3 O Pt'
_chemical_formula_weight         669.63
_chemical_name_common
;
<i>cis</i>-Bis[(1-adamantylmethyl)amine-\k<i>N</i>]dichloridoplatinum(II)
<i>N</i>,<i>N</i>-dimethylformamide solvate
;
_chemical_name_systematic
;
<i>cis</i>-dichloridobis[(3,7-dimethyl-bicyclo[3.3.1]non-1-ylmethyl)amine-
\k<i>N</i>]platinum(II) <i>N</i>,<i>N</i>-dimethylformamide solvate}
;
_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                81.137(3)
_cell_angle_beta                 82.323(3)
_cell_angle_gamma                89.292(3)
_cell_formula_units_Z            4
_cell_length_a                   12.299(3)
_cell_length_b                   14.035(4)
_cell_length_c                   15.644(4)
_cell_measurement_reflns_used    6035
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      2.22
_cell_volume                     2644.2(12)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0987
_diffrn_reflns_av_sigmaI/netI    0.1090
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26513
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.47
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.531
_exptl_absorpt_correction_T_max  0.2806
_exptl_absorpt_correction_T_min  0.1511
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.23
_refine_diff_density_max         7.795
_refine_diff_density_min         -2.821
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     581
_refine_ls_number_reflns         9285
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.974
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0590
_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^)+(0.0732P)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1355
_refine_ls_wR_factor_ref         0.1518
_reflns_number_gt                5724
_reflns_number_total             9285
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2221.cif
_cod_data_source_block           I
_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_enum 1527 2010-12-29 10:47:43Z saulius 

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_cell_volume        2644.3(12)
_cod_database_code               2223844
_cod_database_fobs_code          2223844