LMucko/crystallography-open-database huggingface dataset:
Nitrogen-Nitrogen Bond Cleavage of Hydrazine Derivatives by Trinuclear Pentahydride Complex of Ruthenium, (Cp'Ru)3(m-H)3(m3-H)2 (Cp' = h5-C5Me5)
Yumiko Nakajima; Hiroharu Suzuk; Organometallics  (2003) –; doi:

data_4061850
_publ_section_title
;
 Nitrogen-Nitrogen Bond Cleavage of Hydrazine Derivatives by Trinuclear
Pentahydride Complex of Ruthenium,
(Cp'Ru)3(m-H)3(m3-H)2 (Cp' = h5-C5Me5)
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C36 H53 N Ru3'
_chemical_formula_weight         803.00
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.16(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.489(6)
_cell_length_b                   18.610(10)
_cell_length_c                   11.046(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3453(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.545
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4061850
Nitrogen-Nitrogen Bond Cleavage of Hydrazine Derivatives by Trinuclear Pentahydride Complex of Ruthenium, (Cp'Ru)3(m-H)3(m3-H)2 (Cp' = h5-C5Me5)
Yumiko Nakajima; Hiroharu Suzuk; Organometallics  (2003) –; doi:

data_4061851
_publ_section_title
;
 Nitrogen-Nitrogen Bond Cleavage of Hydrazine Derivatives by Trinuclear
Pentahydride Complex of Ruthenium,
(Cp'Ru)3(m-H)3(m3-H)2 (Cp' = h5-C5Me5)
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C30 H48 N2 Ru3'
_chemical_formula_weight         739.91
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.785(4)
_cell_angle_beta                 72.418(6)
_cell_angle_gamma                60.2500(19)
_cell_formula_units_Z            2
_cell_length_a                   11.0087(11)
_cell_length_b                   11.0370(19)
_cell_length_c                   15.699(3)
_cell_measurement_temperature    223(2)
_cell_volume                     1564.0(4)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.571
_cod_database_code               4061851
; Organometallics  (2003) –; doi:

data_4061852
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C79 H88 Cl3 Fe6 N15 O P3'
_chemical_formula_weight         1798.00
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 113.04(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.028(14)
_cell_length_b                   16.329(8)
_cell_length_c                   22.363(15)
_cell_measurement_temperature    293(2)
_cell_volume                     8074(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.479
_refine_ls_R_factor_all          0.2281
_refine_ls_R_factor_gt           0.0901
_refine_ls_wR_factor_gt          0.1963
_refine_ls_wR_factor_ref         0.2679
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_atom_site_adp_type' value 'uani' changed to 'Uani'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 
(56 times).

'_atom_site_adp_type' value 'uiso' changed to 'Uiso' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (45 times).

'_atom_site_refinement_flags' value 's' changed to 'S' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (4 times).

'_atom_site_refinement_flags' value 'p' changed to 'P' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (3 times).

'_atom_site_refinement_flags' value 'r' changed to 'R' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (42 times).

'_atom_site_refinement_flags' value 'g' changed to 'G' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (30 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_atom_site_refinement_flags' value 'sp' changed to 'SP' according to
the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061852
; Organometallics  (2003) –; doi:

data_4061853
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C60 H62 Fe4 N11 P3'
_chemical_formula_sum            'C60 H62 Fe4 N11 P3'
_chemical_formula_weight         1253.52
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                112.821(5)
_cell_angle_beta                 95.174(5)
_cell_angle_gamma                92.084(5)
_cell_formula_units_Z            2
_cell_length_a                   13.006(5)
_cell_length_b                   13.888(5)
_cell_length_c                   17.159(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2836.5(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.468
_cod_database_code               4061853
; Organometallics  (2003) –; doi:

data_4061854
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C49 H43 Cl3 Fe2 N7 O4 P3'
_chemical_formula_weight         1104.86
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.260(10)
_cell_angle_beta                 108.595(12)
_cell_angle_gamma                101.877(13)
_cell_formula_units_Z            2
_cell_length_a                   11.2227(16)
_cell_length_b                   14.214(2)
_cell_length_c                   17.108(2)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_min      2.15
_cell_volume                     2429.0(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.511
_cod_database_code               4061854
; Organometallics  (2003) –; doi:

data_4061855
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C42 H38 Fe N5 O5 P3'
_chemical_formula_weight         841.53
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.249(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9501(12)
_cell_length_b                   16.4398(18)
_cell_length_c                   21.431(2)
_cell_measurement_temperature    93(2)
_cell_volume                     3854.9(7)
_diffrn_ambient_temperature      93(2)
_exptl_crystal_density_diffrn    1.450
_cod_depositor_comments
;
 Changing mistyped coordinates and bond lengths. The C3C atom
 coordinate was chosen to give correct geometry of the benzene ring it
 belongs to. The structure was inspected graphically to verify
 this. The bond N11 C1 was calculated using our cif_bonds_angles
 program. The changed lines are (from the 'svn diff' output):

 -H2AA H 0.6784 C.9048 0.1343 0.024(8) Uiso 1 1 calc R . .
 +H2AA H 0.6784 0.9048 0.1343 0.024(8) Uiso 1 1 calc R . .

 -C3C C 0.9(86(3) 0.83220(19) 0.19461(14) 0.0258(7) Uani 1 1 d . . .
 +C3C C 0.9986(3) 0.83220(19) 0.19461(14) 0.0258(7) Uani 1 1 d . . .

 -C1B 0.0116(13) 0.0106(14) 0.0269(14) -0.0042(11) 0.0037o10) -0.0010(12)
 +C1B 0.0116(13) 0.0106(14) 0.0269(14) -0.0042(11) 0.0037(10) -0.0010(12)

 -N11 C1 1.4_9(3) . ?
 +N11 C1 1.459(3) . ?

 Saulius Gra\<zulis
 2010.03.25

 Tag "_chemica7_formula_sum" was deleted, because the value
 'C49 H43 Cl3 Fe2 N7 O4 P3' does not match molecule chemical 
 formula. Real value of it is left in tag 
 "_chemical_formula_sum  'C42 H38 Fe N5 O5 P3'".

 Adriana Da\<skevi\<c
 2010.03.25
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061855
; Organometallics  (2003) –; doi:

data_4061856
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C24 H23 Fe N2 O P'
_chemical_formula_weight         442.26
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 96.388(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   11.911(5)
_cell_length_b                   8.250(5)
_cell_length_c                   21.789(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2127.8(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.381
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061856
; Organometallics  (2003) –; doi:

data_4061857
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         '2(C13 H9 N2 O11 Os4), C H Cl3, 2(B F4)'
_chemical_formula_sum            'C27 H19 B2 Cl3 F8 N4 O22 Os8'
_chemical_formula_weight         2553.03
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.530(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.380(1)
_cell_length_b                   9.9997(5)
_cell_length_c                   27.705(1)
_cell_measurement_temperature    298.2
_cell_volume                     5412.7(5)
_diffrn_ambient_temperature      298.2
_exptl_crystal_density_diffrn    3.133
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 93 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C27 H19 B2 Cl3 F8 N4 O22 Os8 '
_cod_database_code               4061857
; Organometallics  (2003) –; doi:

data_4061858
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C25 H15 N O11 Os4'
_chemical_formula_sum            'C25 H15 N O11 Os4'
_chemical_formula_weight         1266.19
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                77.28(1)
_cell_angle_beta                 86.67(1)
_cell_angle_gamma                84.47(1)
_cell_formula_units_Z            2
_cell_length_a                   9.405(1)
_cell_length_b                   9.439(1)
_cell_length_c                   16.746(2)
_cell_measurement_temperature    298.2
_cell_volume                     1442.3(3)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    2.915
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 56 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4061858
; Organometallics  (2003) –; doi:

data_4061859
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C25 H15 N O11 Os4'
_chemical_formula_sum            'C25 H15 N O11 Os4'
_chemical_formula_weight         1266.19
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.38(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.668(2)
_cell_length_b                   25.949(7)
_cell_length_c                   12.453(3)
_cell_measurement_temperature    298.2
_cell_volume                     2928(1)
_diffrn_ambient_temperature      298.2
_exptl_crystal_density_diffrn    2.872
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 56 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061859
; Organometallics  (2003) –; doi:

data_4061860
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety
'C8 H11 N3 O4 Os2, C6 H O6 Os2, 2(C4 H8 O), B F4'
_chemical_formula_sum            'C22 H28 B F4 N3 O12 Os4'
_chemical_formula_weight         1374.08
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.33(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.020(1)
_cell_length_b                   12.533(1)
_cell_length_c                   24.337(2)
_cell_measurement_temperature    298.2
_cell_volume                     3594.8(6)
_diffrn_ambient_temperature      298.2
_exptl_crystal_density_diffrn    2.539
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 74 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C22 H28 B F4 N3 O12 Os4 '
_cod_database_code               4061860
; Organometallics  (2003) –; doi:

data_4061861
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C9 H4 Cl N O9 Os3, C H Cl3'
_chemical_formula_sum            'C10 H5 Cl4 N O9 Os3'
_chemical_formula_weight         995.56
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.82(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.535(1)
_cell_length_b                   9.5150(9)
_cell_length_c                   18.405(1)
_cell_measurement_temperature    298
_cell_volume                     2163.0(3)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.057
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 32 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061861
; Organometallics  (2003) –; doi:

data_4061862
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C12 H5 N O12 Os4'
_chemical_formula_sum            'C12 H5 N O12 Os4'
_chemical_formula_weight         1115.97
_space_group_IT_number           170
_space_group_name_Hall           'P 65'
_space_group_name_H-M_alt        'P 65'
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      170
_symmetry_space_group_name_Hall  'P 65'
_symmetry_space_group_name_H-M   'P 65'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.993(1)
_cell_length_b                   8.993(1)
_cell_length_c                   43.190(4)
_cell_measurement_temperature    298.2
_cell_volume                     3025.0(5)
_diffrn_ambient_temperature      298.2
_exptl_crystal_density_diffrn    3.675
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 34 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4061862
; Organometallics  (2003) –; doi:

data_4061863
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C6 H6 N O6 Os2, C6 O6 Os2, C F3 O3 S '
_chemical_formula_sum            'C13 H6 F3 N O15 Os4 S'
_chemical_formula_weight         1266.04
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.561(1)
_cell_length_b                   17.096(2)
_cell_length_c                   10.391(1)
_cell_measurement_temperature    298.2
_cell_volume                     2586.7(4)
_diffrn_ambient_temperature      298.2
_exptl_crystal_density_diffrn    3.251
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 43 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4061863
; Organometallics  (2003) –; doi:

data_4061864
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C12 H3 N O12 Os4'
_chemical_formula_sum            'C12 H3 N O12 Os4'
_chemical_formula_weight         1113.96
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.404(2)
_cell_length_b                   15.727(2)
_cell_length_c                   16.359(2)
_cell_measurement_temperature    298.2
_cell_volume                     3963.1(8)
_diffrn_ambient_temperature      298.2
_exptl_crystal_density_diffrn    3.734
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 40 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_Hall     '-P 2ac 2n '
_cod_database_code               4061864
; Organometallics  (2003) –; doi:

data_4061865
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C21 H26 Cl2 I N2 O Rh'
_chemical_formula_weight         623.15
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.0948(11)
_cell_length_b                   14.5096(10)
_cell_length_c                   20.7994(15)
_cell_measurement_temperature    150(2)
_cell_volume                     4857.3(6)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.704
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_database_code               4061865
; Organometallics  (2003) –; doi:

data_4061866
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C25 H32 Cl3 I2 N2 O Rh'
_chemical_formula_weight         839.59
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.4058(9)
_cell_length_b                   10.6809(6)
_cell_length_c                   18.1516(11)
_cell_measurement_temperature    150(2)
_cell_volume                     2986.8(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.867
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_original_sg_symbol_H-M      "'P n a 21"
_cod_database_code               4061866
; Organometallics  (2003) –; doi:

data_4061867
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C31 H45 Cl2 I2 N2 O Rh'
_chemical_formula_weight         889.30
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.249(4)
_cell_length_b                   18.634(4)
_cell_length_c                   10.630(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3614.8(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.634
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_database_code               4061867