Raman and single-crystal X-ray diffraction evidence of pressure-induced phase transitions in a perovskite-like framework of [(C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N] [Mn(N(CN)<sub>2</sub>)<sub>3</sub>].
Mączka, Mirosław; Collings, Ines E.; Leite, Fabio Furtado; Paraguassu, Waldeci; Dalton transactions (Cambridge, England : 2003) 48 (2019) 9072–9078; doi:10.1039/c9dt01648a

data_7700106
_publ_section_title
;
 Raman and single-crystal X-ray diffraction evidence of pressure-induced
 phase transitions in a perovskite-like framework of
 [(C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N]
 [Mn(N(CN)<sub>2</sub>)<sub>3</sub>].
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9072
_journal_page_last               9078
_journal_paper_doi               10.1039/c9dt01648a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C18 H28 Mn N10'
_chemical_formula_sum            'C18 H28 Mn N10'
_chemical_formula_weight         439.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-05-13 deposited with the CCDC.    2019-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.324(17)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_b                   14.4698(12)
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_computing_cell_refinement       'CrysAlisPro (Agilent Technologies, 2013)'
_computing_data_collection       'ESRF SPEC OSCILLATION Macro'
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_computing_publication_material  CrystalMaker
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_diffrn_ambient_pressure         '3.75 GPa'
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_diffrn_detector_area_resol_mean 7
_diffrn_measured_fraction_theta_full 0.575
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_diffrn_measurement_device_type  'ID15B beamline, ESRF'
_diffrn_measurement_method       'omega scans'
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_diffrn_reflns_Laue_measured_fraction_full 0.575
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_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.575
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_diffrn_reflns_theta_max         14.335
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_diffrn_source                   synchrotron
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;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_all          0.1503
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_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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2680
_refine_ls_wR_factor_ref         0.3075
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_reflns_number_gt                2264
_reflns_number_total             3878
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           TPrAMndca_c2_p15
_cod_depositor_comments
'Adding full bibliography for 7700105--7700107.cif.'
_cod_original_cell_volume        3690.6(10)
_cod_database_code               7700106
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              71177