LMucko/crystallography-open-database huggingface dataset:
Synthesis and Structure of Potassium and Samarium Phosphine(phosphinimino)methanides
Gamer, Michael T.; Roesky, Peter W.; Organometallics 23 (2004) 5540–5544; doi:10.1021/om049409d

data_4061027
_publ_section_title
;
 Synthesis and Structure of Potassium and Samarium
 Phosphine(phosphinimino)methanides
;
_journal_coden_ASTM              ORGND7
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5540
_journal_page_last               5544
_journal_paper_doi               10.1021/om049409d
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C51.5 H64 N P2 Si Sm'
_chemical_formula_weight         937.42
_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                 109.289(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.4232(8)
_cell_length_b                   14.8800(8)
_cell_length_c                   14.8460(16)
_cell_measurement_temperature    203(2)
_cell_volume                     4675.4(6)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.332
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C51.50 H64 N P2 Si Sm'
_cod_database_code               4061027
Diverse Structures and Remarkable Oxidizing Ability of Triarylbismuthane Oxides. Comparative Study on the Structure and Reactivity of a Series of Triarylpnictogen Oxides
Matano, Yoshihiro; Nomura, Hazumi; Hisanaga, Teppei; Nakano, Haruyuki; Shiro, Motoo; Imahori, Hiroshi; Organometallics 23 (2004) 5471–5480; doi:10.1021/om0494115

data_4061028
_publ_section_title
;
 Diverse Structures and Remarkable Oxidizing Ability of Triarylbismuthane
 Oxides. Comparative Study on the Structure and Reactivity of a Series of
 Triarylpnictogen Oxides
;
_journal_coden_ASTM              ORGND7
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5471
_journal_page_last               5480
_journal_paper_doi               10.1021/om0494115
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C42 H42 O8 Sb2'
_chemical_formula_sum            'C42 H42 O8 Sb2'
_chemical_formula_weight         918.28
_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                85.78(1)
_cell_angle_beta                 68.61(2)
_cell_angle_gamma                89.37(1)
_cell_formula_units_Z            1
_cell_length_a                   8.354(2)
_cell_length_b                   10.890(1)
_cell_length_c                   11.271(3)
_cell_measurement_temperature    300.1
_cell_volume                     952.0(4)
_exptl_crystal_density_diffrn    1.602
_cod_database_code               4061028
Diverse Structures and Remarkable Oxidizing Ability of Triarylbismuthane Oxides. Comparative Study on the Structure and Reactivity of a Series of Triarylpnictogen Oxides
Matano, Yoshihiro; Nomura, Hazumi; Hisanaga, Teppei; Nakano, Haruyuki; Shiro, Motoo; Imahori, Hiroshi; Organometallics 23 (2004) 5471–5480; doi:10.1021/om0494115

data_4061029
_publ_section_title
;
 Diverse Structures and Remarkable Oxidizing Ability of Triarylbismuthane
 Oxides. Comparative Study on the Structure and Reactivity of a Series of
 Triarylpnictogen Oxides
;
_journal_coden_ASTM              ORGND7
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5471
_journal_page_last               5480
_journal_paper_doi               10.1021/om0494115
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C56 H56 Bi4 O6 '
_chemical_formula_sum            'C56 H56 Bi4 O6'
_chemical_formula_weight         1660.98
_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                112.74(1)
_cell_angle_beta                 91.34(1)
_cell_angle_gamma                113.96(1)
_cell_formula_units_Z            1
_cell_length_a                   11.270(2)
_cell_length_b                   11.367(2)
_cell_length_c                   12.355(2)
_cell_measurement_temperature    223.1
_cell_volume                     1303.0(4)
_exptl_crystal_density_diffrn    2.117
_cod_original_formula_sum        'C56 H56 Bi4 O6 '
_cod_database_code               4061029
; Organometallics  (2004) –; doi:10.1021/om049415+

data_4061030
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049415+
_journal_year                    2004
_chemical_formula_sum            'C39 H62 Fe N2'
_chemical_formula_weight         614.76
_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                90.00
_cell_angle_beta                 95.8210(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7846(4)
_cell_length_b                   17.6801(8)
_cell_length_c                   21.5292(9)
_cell_measurement_temperature    193(2)
_cell_volume                     3705.2(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.102
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061030
; Organometallics  (2004) –; doi:10.1021/om049415+

data_4061031
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049415+
_journal_year                    2004
_chemical_formula_sum            'C30 H44 Fe N2'
_chemical_formula_weight         488.52
_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                90.00
_cell_angle_beta                 104.9040(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4862(12)
_cell_length_b                   17.4494(16)
_cell_length_c                   13.9462(13)
_cell_measurement_temperature    193(2)
_cell_volume                     2936.3(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.105
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061031
; Organometallics  (2004) –; doi:10.1021/om049415+

data_4061032
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049415+
_journal_year                    2004
_chemical_formula_moiety         'C40 H55 F3 Fe N2'
_chemical_formula_sum            'C40 H55 F3 Fe N2'
_chemical_formula_weight         676.71
_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                 97.958(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.070(4)
_cell_length_b                   11.898(3)
_cell_length_c                   37.294(9)
_cell_measurement_temperature    193(2)
_cell_volume                     7501(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.198
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061032
; Organometallics  (2004) –; doi:10.1021/om049415+

data_4061033
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049415+
_journal_year                    2004
_chemical_formula_sum            'C37 H50 Fe N2'
_chemical_formula_weight         578.64
_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                90.00
_cell_angle_beta                 98.1430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6842(7)
_cell_length_b                   14.3100(9)
_cell_length_c                   21.5466(13)
_cell_measurement_temperature    193(2)
_cell_volume                     3261.1(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.179
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061033
; Organometallics  (2004) –; doi:10.1021/om049415+

data_4061034
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049415+
_journal_year                    2004
_chemical_formula_sum            'C42 H53 Fe N2 O'
_chemical_formula_weight         657.71
_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                93.7900(10)
_cell_angle_beta                 99.8820(10)
_cell_angle_gamma                102.1770(10)
_cell_formula_units_Z            2
_cell_length_a                   11.1605(6)
_cell_length_b                   13.1731(7)
_cell_length_c                   13.6412(7)
_cell_measurement_temperature    193(2)
_cell_volume                     1920.37(18)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.137
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               4061034
; Organometallics  (2004) –; doi:10.1021/om049415+

data_4061035
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049415+
_journal_year                    2004
_chemical_formula_moiety         'C37 H51 Fe N3'
_chemical_formula_sum            'C37 H51 Fe N3'
_chemical_formula_weight         593.66
_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                102.007(2)
_cell_angle_beta                 94.507(2)
_cell_angle_gamma                109.212(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3051(11)
_cell_length_b                   10.7974(13)
_cell_length_c                   20.630(2)
_cell_measurement_temperature    193(2)
_cell_volume                     1890.0(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.043
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               4061035
; Organometallics  (2004) –; doi:10.1021/om049415+

data_4061036
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049415+
_journal_year                    2004
_chemical_formula_moiety         'C62 H86 Fe2 N6'
_chemical_formula_sum            'C62 H86 Fe2 N6'
_chemical_formula_weight         1027.07
_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                 99.0600(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.5456(16)
_cell_length_b                   13.5388(8)
_cell_length_c                   15.4445(9)
_cell_measurement_temperature    293(2)
_cell_volume                     5894.4(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.157
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061036
; Organometallics  (2004) –; doi:10.1021/om049415+

data_4061037
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049415+
_journal_year                    2004
_chemical_formula_sum            'C35 H52 Fe N2'
_chemical_formula_weight         556.64
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.7140(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3802(4)
_cell_length_b                   20.5784(9)
_cell_length_c                   9.7226(4)
_cell_measurement_temperature    193(2)
_cell_volume                     1635.56(13)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.130
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4061037
; Organometallics  (2004) –; doi:10.1021/om049417u

data_4061038
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049417u
_journal_year                    2004
_chemical_formula_sum            'C76 H136 N4 O16 Pb6 Si8'
_chemical_formula_weight         2829.75
_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                90.00
_cell_angle_beta                 97.19(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.664(1)
_cell_length_b                   12.693(1)
_cell_length_c                   20.651(1)
_cell_measurement_temperature    100(2)
_cell_volume                     4854(1)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.936
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061038
Unexpected behavior of the novel organometallic thioether C~5~H~5~FeC~5~H~6~C=CSC=CSiMe~3~ towards Ru~3~(CO)~12~.
B. Alonzo, C. Castejon, E. Delgado, E. Hernandez; B. Donnadieu; Organometallics  (2004) –; doi:10.1021/om049423q

data_4061039
_publ_section_title
;
  Unexpected behavior of the novel organometallic thioether
  C~5~H~5~FeC~5~H~6~C=CSC=CSiMe~3~ towards Ru~3~(CO)~12~.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049423q
_journal_year                    2004
_chemical_formula_sum            'C17 H18 Fe S Si'
_chemical_formula_weight         338.32
_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                 108.508(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4418(16)
_cell_length_b                   9.7857(12)
_cell_length_c                   15.1962(19)
_cell_measurement_temperature    180(2)
_cell_volume                     1613.5(4)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.393
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061039
Unexpected behavior of the novel organometallic thioether C~5~H~5~FeC~5~H~6~C=CSC=CSiMe~3~ towards Ru~3~(CO)~12~.
B. Alonzo, C. Castejon, E. Delgado, E. Hernandez; B. Donnadieu; Organometallics  (2004) –; doi:10.1021/om049423q

data_4061040
_publ_section_title
;
  Unexpected behavior of the novel organometallic thioether
  C~5~H~5~FeC~5~H~6~C=CSC=CSiMe~3~ towards Ru~3~(CO)~12~.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049423q
_journal_year                    2004
_chemical_formula_sum            'C43 H36 Fe2 O9 Ru3 S2 Si2'
_chemical_formula_weight         1231.93
_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                86.887(6)
_cell_angle_beta                 83.710(6)
_cell_angle_gamma                66.344(6)
_cell_formula_units_Z            2
_cell_length_a                   11.8715(9)
_cell_length_b                   12.5020(8)
_cell_length_c                   18.2701(14)
_cell_measurement_temperature    180(2)
_cell_volume                     2468.6(3)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.657
_cod_database_code               4061040
Unexpected behavior of the novel organometallic thioether C~5~H~5~FeC~5~H~6~C=CSC=CSiMe~3~ towards Ru~3~(CO)~12~.
B. Alonzo, C. Castejon, E. Delgado, E. Hernandez; B. Donnadieu; Organometallics  (2004) –; doi:10.1021/om049423q

data_4061041
_publ_section_title
;
  Unexpected behavior of the novel organometallic thioether
  C~5~H~5~FeC~5~H~6~C=CSC=CSiMe~3~ towards Ru~3~(CO)~12~.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049423q
_journal_year                    2004
_chemical_formula_sum            'C52 H36 Fe2 O18 Ru6 S2 Si2'
_chemical_formula_weight         1787.23
_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                 93.505(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.6865(12)
_cell_length_b                   9.5647(8)
_cell_length_c                   32.649(2)
_cell_measurement_temperature    180(2)
_cell_volume                     6136.2(8)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.935
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061041
New Synthon in the Design of ansa-Cyclopentadienyl Ligands with Variable Substitution at the Bridging Atom
Antinolo, A.; Fernandez-Galan, R; Otero, A.; Prashar, S.; Rivilla, I.; Rodriguez, A.; Maestro, MA.; Organometallics  (2004) –; doi:10.1021/om049425a

data_4061042
_publ_section_title
;
New Synthon in the Design of ansa-Cyclopentadienyl Ligands with Variable
Substitution at the Bridging Atom
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049425a
_journal_year                    2004
_chemical_formula_sum            'C54 H66 K2 N3'
_chemical_formula_weight         835.3
_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                 92.080(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.710(2)
_cell_length_b                   9.8370(10)
_cell_length_c                   29.408(2)
_cell_measurement_temperature    173(2)
_cell_volume                     4830.8(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.149
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061042
New Synthon in the Design of ansa-Cyclopentadienyl Ligands with Variable Substitution at the Bridging Atom
Antinolo, A.; Fernandez-Galan, R; Otero, A.; Prashar, S.; Rivilla, I.; Rodriguez, A.; Maestro, MA.; Organometallics  (2004) –; doi:10.1021/om049425a

data_4061043
_publ_section_title
;
New Synthon in the Design of ansa-Cyclopentadienyl Ligands with Variable
Substitution at the Bridging Atom
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049425a
_journal_year                    2004
_chemical_formula_moiety         'C21 H22 Cl2 Zr'
_chemical_formula_sum            'C21 H22 Cl2 Zr'
_chemical_formula_weight         436.51
_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                90.00
_cell_angle_beta                 100.747(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7472(11)
_cell_length_b                   16.924(2)
_cell_length_c                   11.9315(14)
_cell_measurement_temperature    173(2)
_cell_volume                     1933.7(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.499
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061043