Fine-tuning of a thermosalient phase transition by solid solutions
Nauha, Elisa; Naumov, Panče; Lusi, Matteo; CrystEngComm 18 (2016) 4699–; doi:10.1039/C6CE00762G

data_7225152
_publ_section_title
;
 Fine-tuning of a thermosalient phase transition by solid solutions
;
_journal_issue                   25
_journal_name_full               CrystEngComm
_journal_page_first              4699
_journal_paper_doi               10.1039/C6CE00762G
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C10 H8 Br1.75 Cl0.25 N2 Zn'
_chemical_formula_weight         370.40
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-03-18 deposited with the CCDC.
2016-05-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.568(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.755(6)
_cell_length_b                   14.818(8)
_cell_length_c                   7.775(4)
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_diffrn_ambient_temperature      300(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
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_diffrn_reflns_limit_k_max       19
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_diffrn_reflns_limit_l_max       10
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.988
_diffrn_reflns_theta_min         2.353
_exptl_absorpt_coefficient_mu    7.725
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.4669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.003
_exptl_crystal_description       needle
_exptl_crystal_F_000             710
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_exptl_crystal_size_mid          0.050
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0332P)^2^+0.4802P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                1247
_reflns_number_total             1792
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ce00762g3.cif
_cod_data_source_block           1x90_ratio300K
_cod_depositor_comments
'Adding full bibliography for 7225150--7225163.cif.'
_cod_original_cell_volume        1228.2(12)
_cod_database_code               7225152
_shelx_estimated_absorpt_t_min   0.230
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_shelx_res_checksum              58847