Crystal structure of hydrazine iron(III) phosphate, the first transition metal phosphate containing hydrazine
David, Renald; Acta Crystallographica Section E 71 (2015) 1436–1438; doi:10.1107/S2056989015020010

data_2241300
_publ_section_title
;
 Crystal structure of hydrazine iron(III) phosphate, the first transition
 metal phosphate containing hydrazine
;
_journal_coeditor_code           WM5227
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1436
_journal_page_last               1438
_journal_paper_doi               10.1107/S2056989015020010
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Fe (P O4) (N2 H4)]'
_chemical_formula_moiety         'Fe H4 N2 O4 P'
_chemical_formula_structural     'Fe H4 N2 O4 P'
_chemical_formula_sum            'Fe H4 N2 O4 P'
_chemical_formula_weight         182.87
_chemical_name_systematic
;
Poly[(\m~2~-hydrazine)(\m~4~-phosphato)iron(III)]
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3114(13)
_cell_length_b                   7.6680(15)
_cell_length_c                   8.6485(18)
_cell_measurement_reflns_used    2128
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.94
_cell_measurement_theta_min      4.15
_cell_volume                     418.55(15)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2010)
;
_computing_publication_material
;
JANA2006 (Petri\'cek <i>et al.</i>, 2014)
;
_computing_structure_refinement
;
JANA2006 (Petri\'cek <i>et al.</i>, 2014)
;
_computing_structure_solution
;
SUPERFLIP (Palatinus & Chapuis, 2007)
;
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'phi scan'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13820
_diffrn_reflns_theta_full        30.64
_diffrn_reflns_theta_max         30.64
_diffrn_reflns_theta_min         4.18
_exptl_absorpt_coefficient_mu    3.89
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2013)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.902
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             364
_exptl_crystal_size_max          0.047
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.027
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.33
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.46
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_constraints    0
_refine_ls_number_parameters     47
_refine_ls_number_reflns         601
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0197
_refine_ls_shift/su_max          0.0061
_refine_ls_shift/su_mean         0.0019
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0251
_refine_ls_wR_factor_ref         0.0268
_reflns_number_gt                457
_reflns_number_total             601
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            wm5227sup1.cif
_cod_data_source_block           I
_cod_original_formula_sum        'Fe H4 N2 O4 P1'
_cod_database_code               2241300
_cod_database_fobs_code          2241300