#------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/07/2000751.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000751
loop_
_publ_author_name
'Ferguson, G.'
'Gallagher, J. F.'
'Murphy, D.'
'Spalding, T. R.'
'Glidewell, C.'
'Holden, H. D.'
_publ_section_title
;
 The structure of triphenylgermanium hydroxide
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   7
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1228
_journal_page_last               1231
_journal_paper_doi               10.1107/S0108270191015056
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H16 Ge O'
_chemical_formula_weight         320.9
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.78(4)
_cell_angle_beta                 103.54(4)
_cell_angle_gamma                101.51(3)
_cell_formula_units_Z            16
_cell_length_a                   15.408(6)
_cell_length_b                   19.974(7)
_cell_length_c                   23.264(11)
_cell_volume                     6338(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.91
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_F_000             2624
_cod_data_source_file            mu0293.cif
_cod_data_source_block           mu0293a
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-28

 Updated bibliographical information.

 Antanas Vaitkus
 2019-09-13

 Marked attached hydrogen atoms after consulting the original publication.

 Antanas Vaitkus
 2019-09-13

 Changed the y coordinate of the "H15F" atom from "1.047" to "1.1047". This
 resulted in a more reasonable position of the atom with the carbon-hydrogen
 bond distance of 0.95 \%A.

 Antanas Vaitkus
 2019-09-13

 Corrected the "_geom_angle_atom_site_label_1" data item value by changing
 it from "Of" to "OF".

 Antanas Vaitkus
 2019-09-13
;
_cod_original_formula_sum        'C18 H16 Ge1 O1'
_cod_database_code               2000751
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Ge(A) Ge .28796(9) .55609(7) .37920(6) 0
Ge(B) Ge .27623(8) .27744(7) .25176(6) 0
Ge(C) Ge .04338(8) .35697(7) .08954(6) 0
Ge(D) Ge -.06364(9) .37119(8) .29751(6) 0
Ge(E) Ge .77599(8) .77987(7) .23371(6) 0
Ge(F) Ge .77179(9) 1.04706(7) .37068(6) 0
Ge(G) Ge .41413(8) .86165(7) .28845(6) 0
Ge(J) Ge .52071(8) .85023(7) .08200(6) 0
OA O .2117(6) .4663(4) .3271(4) 1
OB O .2352(5) .3538(4) .2458(4) 1
OC O .0818(5) .3529(4) .1667(3) 1
OD O .0361(5) .3916(5) .2722(4) 1
OE O .7131(5) .8435(4) .2241(3) 1
OF O .7009(5) .9584(4) .3134(4) 1
OG O .5192(5) .8884(5) .2697(4) 1
OJ O .5484(5) .8444(4) .1592(3) 1
C(11A) C .3204(7) .5559(5) .4639(3) 0
C(12A) C .2506(5) .5288(5) .4868(4) 0
C(13A) C .2738(7) .5283(5) .5483(5) 0
C(14A) C .3668(8) .5550(5) .5870(3) 0
C(15A) C .4366(5) .5821(5) .5641(4) 0
C(16A) C .4134(6) .5826(5) .5026(5) 0
C(21A) C .2199(5) .6250(4) .3701(4) 0
C(22A) C .2014(6) .6697(5) .4221(3) 0
C(23A) C .1508(6) .7187(5) .4145(4) 0
C(24A) C .1186(6) .7231(4) .3549(5) 0
C(25A) C .1370(6) .6784(5) .3029(4) 0
C(26A) C .1877(6) .6294(5) .3104(3) 0
C(31A) C .3945(5) .5733(5) .3501(4) 0
C(32A) C .4501(6) .6456(4) .3704(4) 0
C(33A) C .5264(6) .6612(4) .3491(4) 0
C(34A) C .5470(5) .6043(6) .3074(4) 0
C(35A) C .4914(7) .5320(5) .2870(4) 0
C(36A) C .4151(6) .5164(4) .3084(4) 0
C(11B) C .2987(5) .2809(5) .3386(3) 0
C(12B) C .3147(6) .2201(4) .3519(4) 0
C(13B) C .3337(6) .2220(5) .4141(5) 0
C(14B) C .3366(6) .2847(7) .4630(3) 0
C(15B) C .3206(7) .3454(5) .4496(4) 0
C(16B) C .3016(6) .3435(4) .3874(4) 0
C(21B) C .1815(5) .1886(3) .1897(3) 0
C(22B) C .0888(6) .1782(4) .1886(4) 0
C(23B) C .0203(4) .1141(5) .1452(4) 0
C(24B) C .0444(5) .0605(4) .1027(4) 0
C(25B) C .1371(6) .0709(4) .1037(3) 0
C(26B) C .2056(4) .1350(4) .1472(4) 0
C(31B) C .3884(4) .2873(4) .2289(4) 0
C(32B) C .4601(6) .2630(4) .2567(4) 0
C(33B) C .5407(5) .2690(5) .2389(4) 0
C(34B) C .5498(5) .2992(5) .1931(4) 0
C(35B) C .4781(7) .3235(5) .1653(4) 0
C(36B) C .3974(6) .3176(5) .1831(4) 0
C(11C) C -.0117(5) .4368(3) .0976(4) 0
C(12C) C -.0144(5) .4796(4) .1567(3) 0
C(13C) C -.0548(6) .5369(4) .1618(3) 0
C(14C) C -.0924(5) .5514(3) .1078(4) 0
C(15C) C -.0897(5) .5086(4) .0487(3) 0
C(16C) C -.0494(5) .4513(4) .0436(3) 0
C(21C) C .1547(5) .3737(4) .0653(4) 0
C(22C) C .2384(6) .4223(4) .1101(3) 0
C(23C) C .3183(5) .4363(4) .0920(4) 0
C(24C) C .3145(5) .4016(5) .0292(5) 0
C(25C) C .2307(7) .3530(5) -.0156(3) 0
C(26C) C .1509(5) .3390(4) .0024(3) 0
C(31C) C -.0469(5) .2634(3) .0326(3) 0
C(32C) C -.1367(6) .2582(4) -.0020(4) 0
C(33C) C -.1999(4) .1894(5) -.0406(3) 0
C(34C) C -.1732(6) .1258(3) -.0446(4) 0
C(35C) C -.0834(6) .1310(4) -.0100(4) 0
C(36C) C -.0202(4) .1998(5) .0286(4) 0
C(11D) C -.1445(5) .2776(4) .2374(4) 0
C(12D) C -.1506(6) .2564(5) .1733(4) 0
C(13D) C -.2105(7) .1883(5) .1298(3) 0
C(14D) C -.2645(6) .1415(4) .1504(4) 0
C(15D) C -.2584(7) .1627(5) .2145(5) 0
C(16D) C -.1984(7) .2307(5) .2580(3) 0
C(21D) C -.0186(6) .3677(5) .3810(3) 0
C(22D) C .0523(7) .3356(6) .3948(4) 0
C(23D) C .0833(6) .3323(6) .4549(5) 0
C(24D) C .0434(7) .3611(6) .5013(3) 0
C(25D) C -.0275(7) .3932(6) .4876(4) 0
C(26D) C -.0584(6) .3965(5) .4274(4) 0
C(31D) C -.1217(6) .4492(4) .2996(4) 0
C(32D) C -.2184(6) .4338(4) .2854(4) 0
C(33D) C -.2597(5) .4905(6) .2903(4) 0
C(34D) C -.2043(8) .5628(5) .3094(4) 0
C(35D) C -.1076(7) .5782(4) .3237(4) 0
C(36D) C -.0664(4) .5214(5) .3188(4) 0
C(11E) C .6942(5) .6822(3) .1805(3) 0
C(12E) C .6049(6) .6721(4) .1415(4) 0
C(13E) C .5471(5) .6012(5) .1032(4) 0
C(14E) C .5785(6) .5405(4) .1039(4) 0
C(15E) C .6677(7) .5507(4) .1429(4) 0
C(16E) C .7255(5) .6215(5) .1812(4) 0
C(21E) C .8088(7) .7908(5) .3216(3) 0
C(22E) C .7389(5) .7838(6) .3500(5) 0
C(23E) C .7610(8) .7870(7) .4126(5) 0
C(24E) C .8531(9) .7972(6) .4469(3) 0
C(25E) C .9231(7) .8042(6) .4185(5) 0
C(26E) C .9009(6) .8010(6) .3558(5) 0
C(31E) C .8849(5) .7994(6) .2053(5) 0
C(32E) C .9488(7) .7591(6) .2095(6) 0
C(33E) C 1.0253(7) .7734(7) .1880(6) 0
C(34E) C 1.0378(6) .8279(7) .1623(5) 0
C(35E) C .9738(8) .8682(6) .1582(6) 0
C(36E) C .8974(7) .8539(6) .1796(6) 0
C(11F) C .8048(6) 1.0408(5) .4538(3) 0
C(12F) C .8608(7) .9962(5) .4648(4) 0
C(13F) C .8890(7) .9921(5) .5248(5) 0
C(14F) C .8612(7) 1.0326(6) .5739(4) 0
C(15F) C .8051(8) 1.0771(6) .5630(4) 0
C(16F) C .7769(6) 1.0812(5) .5029(5) 0
C(21F) C .8794(5) 1.0693(5) .3442(4) 0
C(22F) C .8728(6) 1.0342(6) .2808(4) 0
C(23F) C .9499(9) 1.0497(8) .2603(4) 0
C(24F) C 1.0337(6) 1.1004(7) .3032(6) 0
C(25F) C 1.0404(5) 1.1356(6) .3666(5) 0
C(26F) C .9632(7) 1.1200(6) .3871(3) 0
C(31F) C .7004(5) 1.1159(4) .3709(3) 0
C(32F) C .7456(4) 1.1913(5) .3977(4) 0
C(33F) C .6935(7) 1.2413(3) .4020(4) 0
C(34F) C .5961(7) 1.2158(5) .3795(4) 0
C(35F) C .5510(4) 1.1404(5) .3527(4) 0
C(36F) C .6031(6) 1.0905(3) .3484(3) 0
C(11G) C .3475(6) .9310(4) .2786(5) 0
C(12G) C .3013(8) .9570(6) .3217(4) 0
C(13G) C .2489(8) 1.0046(6) .3127(5) 0
C(14G) C .2426(7) 1.0261(5) .2605(6) 0
C(15G) C .2888(7) 1.0000(5) .2174(4) 0
C(16G) C .3412(6) .9525(5) .2264(4) 0
C(21G) C .3425(6) .7627(4) .2290(3) 0
C(22G) C .2525(6) .7483(4) .1890(4) 0
C(23G) C .2015(5) .6765(5) .1482(4) 0
C(24G) C .2406(7) .6190(4) .1474(4) 0
C(25G) C .3306(7) .6334(4) .1874(5) 0
C(26G) C .3815(5) .7052(5) .2283(4) 0
C(31G) C .4549(6) .8661(5) .3744(3) 0
C(32G) C .3933(5) .8293(4) .3978(4) 0
C(33G) C .4205(6) .8367(5) .4616(4) 0
C(34G) C .5095(7) .8808(6) .5019(3) 0
C(35G) C .5711(5) .9176(6) .4785(4) 0
C(36G) C .5439(6) .9102(6) .4148(4) 0
C(11J) C .6343(4) .8611(5) .0587(4) 0
C(12J) C .6458(5) .8052(4) .0104(4) 0
C(13J) C .7277(6) .8160(5) -.0058(4) 0
C(14J) C .7983(5) .8826(6) .0264(4) 0
C(15J) C .7869(5) .9384(4) .0748(4) 0
C(16J) C .7049(6) .9277(4) .0909(3) 0
C(21J) C .4811(5) .9378(4) .0930(4) 0
C(22J) C .5103(5) .9956(5) .1518(3) 0
C(23J) C .4848(6) 1.0598(4) .1567(4) 0
C(24J) C .4302(6) 1.0663(4) .1028(5) 0
C(25J) C .4010(6) 1.0085(6) .0440(4) 0
C(26J) C .4265(6) .9443(4) .0391(3) 0
C(31J) C .4251(4) .7601(3) .0242(3) 0
C(32J) C .3897(5) .7453(4) -.0408(4) 0
C(33J) C .3211(5) .6794(5) -.0804(3) 0
C(34J) C .2880(5) .6283(4) -.0551(4) 0
C(35J) C .3234(5) .6432(4) .0098(4) 0
C(36J) C .3920(5) .7090(5) .0495(3) 0
H(12A) H .1872 .5106 .4605 0
H(13A) H .2262 .5098 .5639 0
H(14A) H .3826 .5547 .6289 0
H(15A) H .5000 .6003 .5904 0
H(16A) H .4610 .6011 .4870 0
H(22A) H .2233 .6667 .4627 0
H(23A) H .1382 .7491 .4500 0
H(24A) H .0841 .7565 .3498 0
H(25A) H .1151 .6814 .2623 0
H(26A) H .2003 .5990 .2750 0
H(32A) H .4361 .6843 .3988 0
H(33A) H .5643 .7104 .3629 0
H(34A) H .5990 .6149 .2929 0
H(35A) H .5054 .4933 .2587 0
H(36A) H .3772 .4672 .2945 0
H(12B) H .3127 .1774 .3187 0
H(13B) H .3446 .1806 .4232 0
H(14B) H .3496 .2860 .5054 0
H(15B) H .3226 .3881 .4829 0
H(16B) H .2907 .3849 .3783 0
H(22B) H .0724 .2147 .2175 0
H(23B) H -.0429 .1070 .1445 0
H(24B) H -.0023 .0169 .0731 0
H(25B) H .1535 .0344 .0748 0
H(26B) H .2688 .1421 .1479 0
H(32B) H .4539 .2424 .2879 0
H(33B) H .5896 .2524 .2578 0
H(34B) H .6047 .3033 .1810 0
H(35B) H .4843 .3442 .1341 0
H(36B) H .3486 .3341 .1642 0
H(12C) H .0112 .4697 .1934 0
H(13C) H -.0566 .5661 .2020 0
H(14C) H -.1199 .5904 .1112 0
H(15C) H -.1153 .5185 .0119 0
H(16C) H -.0475 .4221 .0033 0
H(22C) H .2410 .4459 .1529 0
H(23C) H .3753 .4694 .1225 0
H(24C) H .3689 .4111 .0169 0
H(25C) H .2281 .3294 -.0584 0
H(26C) H .0938 .3059 -.0281 0
H(32C) H -.1549 .3015 .0007 0
H(33C) H -.2611 .1859 -.0642 0
H(34C) H -.2162 .0789 -.0710 0
H(35C) H -.0652 .0876 -.0128 0
H(36C) H .0410 .2033 .0522 0
H(12D) H -.1138 .2883 .1592 0
H(13D) H -.2147 .1739 .0861 0
H(14D) H -.3053 .0952 .1208 0
H(15D) H -.2951 .1308 .2286 0
H(16D) H -.1943 .2452 .3017 0
H(22D) H .0795 .3160 .3632 0
H(23D) H .1316 .3105 .4643 0
H(24D) H .0645 .3588 .5423 0
H(25D) H -.0546 .4127 .5192 0
H(26D) H -.1067 .4183 .4181 0
H(32D) H -.2561 .3846 .2723 0
H(33D) H -.3255 .4800 .2806 0
H(34D) H -.2324 .6014 .3128 0
H(35D) H -.0699 .6274 .3367 0
H36D H -.0005 .5319 .3284 0
H12E H .5836 .7134 .1411 0
H13E H .4864 .5943 .0767 0
H14E H .5391 .4922 .0778 0
H15E H .6891 .5093 .1434 0
H16E H .7863 .6284 .2078 0
H22E H .6761 .7768 .3267 0
H23E H .7134 .7823 .4320 0
H24E H .8682 .7994 .4896 0
H25E H .9858 .8112 .4418 0
H26E H .9485 .8057 .3365 0
H32E H .9403 .7220 .2269 0
H33E H 1.0688 .7460 .1909 0
H34E H 1.0898 .8376 .1477 0
H35E H .9823 .9053 .1407 0
H36E H .8538 .8813 .1768 0
H12F H .8798 .9686 .4314 0
H13F H .9272 .9618 .5323 0
H14F H .8804 1.0298 .6148 0
H15F H .7861 1.1047 .5964 0
H16F H .7387 1.1116 .4955 0
H22F H .8157 .9997 .2516 0
H23F H .9454 1.0258 .2172 0
H24F H 1.0863 1.1110 .2892 0
H25F H 1.0975 1.1701 .3958 0
H26F H .9678 1.1439 .4330 0
H32F H .8118 1.2087 .4130 0
H33F H .7242 1.2926 .4203 0
H34F H .5607 1.2498 .3825 0
H35F H .4847 1.1231 .3374 0
H36F H .5723 1.0392 .3301 0
H12G H .3056 .9424 .3572 0
H13G H .2175 1.0223 .3421 0
H14G H .2069 1.0584 .2544 0
H15G H .2845 1.0147 .1819 0
H16G H .3726 .9348 .1971 0
H22G H .2260 .7874 .1895 0
H23G H .1403 .6667 .1209 0
H24G H .2058 .5701 .1196 0
H25G H .3571 .5943 .1869 0
H26G H .4428 .7150 .2555 0
H32G H .3327 .7993 .3704 0
H33G H .3785 .8117 .4775 0
H34G H .5280 .8859 .5453 0
H35G H .6317 .9477 .5060 0
H36G H .5859 .9353 .3988 0
H12J H .5977 .7599 -.0115 0
H13J H .735 .7779 -.0387 0
H14J H .8541 .8899 .0154 0
H15J H .8349 .9838 .0967 0
H16J H .6971 .9658 .1238 0
H22J H .5475 .9912 .1885 0
H23J H .5047 1.0992 .1967 0
H24J H .4128 1.1100 .1061 0
H25J H .3638 1.0129 .0073 0
H26J H .4066 .9049 -.0009 0
H32J H .4123 .7800 -.0580 0
H33J H .2970 .6693 -.1247 0
H34J H .2413 .5835 -.0822 0
H35J H .3008 .6084 .0271 0
H36J H .4161 .7191 .0938 0
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
OA Ge(A) C(11A) 107.4(4)
OA Ge(A) C(31A) 107.1(4)
C(11A) Ge(A) C(31A) 112.9(4)
OB Ge(B) C(11B) 108.7(4)
OB Ge(B) C(31B) 106.7(4)
C(11B) Ge(B) C(31B) 111.8(4)
OC Ge(C) C(11C) 107.5(4)
OC Ge(C) C(31C) 108.3(3)
C(11C) Ge(C) C(31C) 111.5(3)
OD Ge(D) C(11D) 107.2(4)
OD Ge(D) C(31D) 107.5(4)
C(11D) Ge(D) C(31D) 112.1(3)
OE Ge(E) C(11E) 107.6(3)
OE Ge(E) C(31E) 108.7(4)
C(11E) Ge(E) C(13E) 109.5(4)
OF Ge(F) C(11F) 108.7(4)
OF Ge(F) C(31F) 108.7(3)
C(11F) Ge(F) C(31F) 108.9(4)
OG Ge(G) C(11G) 106.2(4)
OG Ge(G) C(31G) 105.3(4)
C(11G) Ge(G) C(31G) 113.4(4)
OA Ge(A) C(21A) 106.7(3)
C(11A) Ge(A) C(21A) 112.4(4)
C(21A) Ge(A) C(31A) 109.9(4)
OB Ge(B) C(21B) 107.1(3)
C(11B) Ge(B) C(21B) 112.9(3)
C(21B) Ge(B) C(31B) 109.3(3)
OC Ge(C) C(21C) 104.7(4)
C(11C) Ge(C) C(21C) 112.9(4)
C(21C) Ge(C) C(31C) 111.5(3)
OD Ge(D) C(21D) 106.8(4)
C(11D) Ge(D) C(21D) 111.2(4)
C(21D) Ge(D) C(31D) 111.7(4)
OE Ge(E) C(21E) 107.8(4)
C(11E) Ge(E) C(21E) 110.3(4)
C(21E) Ge(E) C(31E) 112.8(4)
OF Ge(F) C(21F) 105.0(4)
C(11F) Ge(F) C(21F) 111.7(4)
C(21F) Ge(F) C(31F) 113.6(4)
OG Ge(G) C(21G) 108.5(4)
C(11G) Ge(G) C(21G) 111.0(3)
C(21G) Ge(G) C(31G) 112.0(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ge(A) OA 1.798(8)
Ge(A) C(31A) 1.925(9)
Ge(B) C(21B) 1.944(5)
Ge(C) C(11C) 1.932(8)
Ge(D) OD 1.788(7)
Ge(D) C(31D) 1.940(10)
Ge(E) C(21E) 1.919(7)
Ge(F) C(11F) 1.931(9)
Ge(G) OG 1.796(7)
Ge(G) C(31G) 1.920(7)
Ge(J) C(21J) 1.930(8)
Ge(A) C(11A) 1.918(8)
Ge(B) OB 1.794(7)
Ge(B) C(31B) 1.915(8)
Ge(C) C(21C) 1.926(8)
Ge(D) C(11D) 1.914(6)
Ge(E) OE 1.780(7)
Ge(E) C(31E) 1.955(10)
Ge(F) C(21F) 1.918(9)
Ge(G) C(11G) 1.918(10)
Ge(J) OJ 1.792(7)
Ge(J) C(31J) 1.938(5)
Ge(A) C(21A) 1.921(9)
Ge(B) C(11B) 1.945(8)
Ge(C) OC 1.787(7)
Ge(C) C(31C) 1.942(6)
Ge(D) C(21D) 1.932(8)
Ge(E) C(11E) 1.934(6)
Ge(F) OF 1.791(7)
Ge(F) C(31F) 1.925(9)
Ge(G) C(21G) 1.945(6)
Ge(J) C(11J) 1.942(8)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168307546
