Twists and Turns of Platinum-Allene Complexes: NMR Techniques for the Study of the Dynamic Behavior in Solution
Quirós, M. Teresa; Muñoz, María Paz; Christensen, Jeppe; Coles, Simon J.; Organometallics 36 (2017) 318–; doi:10.1021/acs.organomet.6b00778

data_4086883
_publ_section_title
;
 Twists and Turns of Platinum-Allene Complexes: NMR Techniques for the
 Study of the Dynamic Behavior in Solution
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              318
_journal_paper_doi               10.1021/acs.organomet.6b00778
_journal_volume                  36
_journal_year                    2017
_chemical_formula_moiety         'C12 H17 Cl2 N Pt'
_chemical_formula_sum            'C12 H17 Cl2 N Pt'
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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'CrysalisPRO 171.38.43(Rigaku Oxford Diffraction 2015)'
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'CrysalisPRO 171.38.43(Rigaku Oxford Diffraction 2015)'
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_max         27.481
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_diffrn_source                   'rotating anode'
_diffrn_source_current           55.0
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_diffrn_source_target            Mo
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_exptl_absorpt_correction_T_min  0.59247
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;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Spherical absorption correction
 using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.181
_exptl_crystal_description       plate
_exptl_crystal_F_000             416
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.090
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_exptl_crystal_size_rad          0.03243
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_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0192
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0368P)^2^+0.2789P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0491
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_reflns_number_gt                3005
_reflns_number_total             3064
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           2016NCS0183
_cod_depositor_comments
'Adding full bibliography for 4086882--4086883.cif.'
_cod_database_code               4086883
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