# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T19:29:49+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section B Structural Science') AND volume = 65 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"2104275","12.1405","0.0007","12.4273","0.0009","6.3851","0.0004","90","","100.122","0.005","90","","948.35","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-carboxyphenyl ammonium monohydrogenphosphite","","","- C7 H10 N O5 P -","- C7 H10 N O5 P -","- C28 H40 N4 O20 P4 -","4","1","BK5076","Bendeif, El-Eulmi; Lecomte, Claude; Dahaoui, Slimane","Following an isosymmetric phase transition by changes in bond lengths and anisotropic displacement parameters: the case of <i>meta</i>-carboxyphenylammonium phosphite","Acta Crystallographica Section B","2009","65","1","59","67","10.1107/S0108768108042298","","","0.71073","MoKα","","0.0354","0.0352","","","0.0936","0.0938","","","","","","1.079","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104276","12.1342","0.0007","12.3851","0.0006","6.3821","0.0004","90","","100.299","0.005","90","","943.67","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-carboxyphenyl ammonium monohydrogenphosphite","","","- C7 H10 N O5 P -","- C7 H10 N O5 P -","- C28 H40 N4 O20 P4 -","4","1","BK5076","Bendeif, El-Eulmi; Lecomte, Claude; Dahaoui, Slimane","Following an isosymmetric phase transition by changes in bond lengths and anisotropic displacement parameters: the case of <i>meta</i>-carboxyphenylammonium phosphite","Acta Crystallographica Section B","2009","65","1","59","67","10.1107/S0108768108042298","","","0.71073","MoKα","","0.0379","0.0335","","","0.0901","0.0936","","","","","","1.057","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104277","12.174","0.0007","12.3719","0.0006","6.3995","0.0004","90","","100.535","0.005","90","","947.62","0.09","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-carboxyphenyl ammonium monohydrogenphosphite","","","- C7 H10 N O5 P -","- C7 H10 N O5 P -","- C28 H40 N4 O20 P4 -","4","1","BK5076","Bendeif, El-Eulmi; Lecomte, Claude; Dahaoui, Slimane","Following an isosymmetric phase transition by changes in bond lengths and anisotropic displacement parameters: the case of <i>meta</i>-carboxyphenylammonium phosphite","Acta Crystallographica Section B","2009","65","1","59","67","10.1107/S0108768108042298","","","0.71073","MoKα","","0.0406","0.0353","","","0.0956","0.0996","","","","","","1.039","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104278","12.2065","0.0007","12.3367","0.0007","6.4102","0.0004","90","","100.798","0.005","90","","948.21","0.1","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-carboxyphenyl ammonium monohydrogenphosphite","","","- C7 H10 N O5 P -","- C7 H10 N O5 P -","- C28 H40 N4 O20 P4 -","4","1","BK5076","Bendeif, El-Eulmi; Lecomte, Claude; Dahaoui, Slimane","Following an isosymmetric phase transition by changes in bond lengths and anisotropic displacement parameters: the case of <i>meta</i>-carboxyphenylammonium phosphite","Acta Crystallographica Section B","2009","65","1","59","67","10.1107/S0108768108042298","","","0.71073","MoKα","","0.043","0.0368","","","0.1019","0.1067","","","","","","1.075","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104279","12.2487","0.0009","12.3265","0.0008","6.429","0.0005","90","","100.981","0.006","90","","952.9","0.12","235","2","235","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-carboxyphenyl ammonium monohydrogenphosphite","","","- C7 H10 N O5 P -","- C7 H10 N O5 P -","- C28 H40 N4 O20 P4 -","4","1","BK5076","Bendeif, El-Eulmi; Lecomte, Claude; Dahaoui, Slimane","Following an isosymmetric phase transition by changes in bond lengths and anisotropic displacement parameters: the case of <i>meta</i>-carboxyphenylammonium phosphite","Acta Crystallographica Section B","2009","65","1","59","67","10.1107/S0108768108042298","","","0.71073","MoKα","","0.0461","0.0385","","","0.1074","0.1128","","","","","","1.096","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104280","13.0119","0.0014","11.5643","0.0013","6.6123","0.0007","90","","104.433","0.009","90","","963.57","0.19","255","2","255","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-carboxyphenyl ammonium monohydrogenphosphite","","","- C7 H10 N O5 P -","- C7 H10 N O5 P -","- C28 H40 N4 O20 P4 -","4","1","BK5076","Bendeif, El-Eulmi; Lecomte, Claude; Dahaoui, Slimane","Following an isosymmetric phase transition by changes in bond lengths and anisotropic displacement parameters: the case of <i>meta</i>-carboxyphenylammonium phosphite","Acta Crystallographica Section B","2009","65","1","59","67","10.1107/S0108768108042298","","","0.71073","MoKα","","0.0552","0.0497","","","0.1378","0.1431","","","","","","1.083","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104281","13.036","0.003","11.538","0.002","6.6366","0.0013","90","","104.73","0.03","90","","965.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-carboxyphenyl ammonium monohydrogenphosphite","","","- C7 H10 N O5 P -","- C7 H10 N O5 P -","- C28 H40 N4 O20 P4 -","4","1","BK5076","Bendeif, El-Eulmi; Lecomte, Claude; Dahaoui, Slimane","Following an isosymmetric phase transition by changes in bond lengths and anisotropic displacement parameters: the case of <i>meta</i>-carboxyphenylammonium phosphite","Acta Crystallographica Section B","2009","65","1","59","67","10.1107/S0108768108042298","","","0.71073","MoKα","","0.0534","0.0371","","","0.0992","0.1034","","","","","","0.993","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104282","13.0363","0.0008","11.5204","0.0007","6.6446","0.0005","90","","104.826","0.006","90","","964.69","0.11","320","2","320","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-carboxyphenyl ammonium monohydrogenphosphite","","","- C7 H10 N O5 P -","- C7 H10 N O5 P -","- C28 H40 N4 O20 P4 -","4","1","BK5076","Bendeif, El-Eulmi; Lecomte, Claude; Dahaoui, Slimane","Following an isosymmetric phase transition by changes in bond lengths and anisotropic displacement parameters: the case of <i>meta</i>-carboxyphenylammonium phosphite","Acta Crystallographica Section B","2009","65","1","59","67","10.1107/S0108768108042298","","","0.71073","MoKα","","0.0574","0.0469","","","0.1394","0.1488","","","","","","1.138","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104283","13.0221","0.0011","11.5012","0.0008","6.6489","0.0005","90","","104.614","0.007","90","","963.59","0.13","345","2","345","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-carboxyphenyl ammonium monohydrogenphosphite","","","- C7 H10 N O5 P -","- C7 H10 N O5 P -","- C28 H40 N4 O20 P4 -","4","1","BK5076","Bendeif, El-Eulmi; Lecomte, Claude; Dahaoui, Slimane","Following an isosymmetric phase transition by changes in bond lengths and anisotropic displacement parameters: the case of <i>meta</i>-carboxyphenylammonium phosphite","Acta Crystallographica Section B","2009","65","1","59","67","10.1107/S0108768108042298","","","0.71073","MoKα","","0.0603","0.0489","","","0.1462","0.1564","","","","","","1.124","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104284","9.2171","0.0014","9.2171","0.0014","9.935","0.002","90","","90","","120","","730.9","0.2","173","2","173","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","m-tetrachlorodicyanobenzene polymorph II","","- C8 Cl4 N2 -","- C7.99998 Cl4.00002 N1.99998 -","- C23.9999 Cl12.0001 N5.99994 -","3","0.0833333","BS5066","Britton, Doyle","Planar packing of tetrachlorodicyanobenzenes. II","Acta Crystallographica Section B","2009","65","1","54","58","10.1107/S0108768108035234","","","0.71073","MoKα","","0.0332","0.0311","","","0.0841","0.086","","","","","","1.237","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104285","9.2473","0.0008","9.2473","0.0008","9.959","0.0013","90","","90","","120","","737.52","0.13","173","2","173","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","o-tetrachlordicyanobenzene/p-tetrachlordicyanobenzene 1/1","","- C8 Cl4 N2 -","- C7.99998 Cl4.00002 N1.99998 -","- C23.9999 Cl12.0001 N5.99994 -","3","0.0833333","BS5066","Britton, Doyle","Planar packing of tetrachlorodicyanobenzenes. II","Acta Crystallographica Section B","2009","65","1","54","58","10.1107/S0108768108035234","","","0.71073","MoKα","","0.03","0.0286","","","0.0842","0.0855","","","","","","1.281","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104286","7.9237","0.0009","9.4546","0.0011","6.5157","0.0007","90","","93.106","0.002","90","","487.41","0.09","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","m-tetrachlorodicyanobenzene/p- tetrachlorodicyanobenzene 1/1 polymorpth II","","- C8 Cl4 N2 -","- C7.9992 Cl4.0008 N1.9992 -","- C15.9984 Cl8.0016 N3.9984 -","2","0.25","BS5066","Britton, Doyle","Planar packing of tetrachlorodicyanobenzenes. II","Acta Crystallographica Section B","2009","65","1","54","58","10.1107/S0108768108035234","","","0.71073","MoKα","","0.0323","0.0313","","","0.0794","0.0802","","","","","","1.077","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104287","10.28","0.0005","10.996","0.0005","17.1772","0.0008","73.761","0.001","77.597","0.0009","72.899","0.001","1763.12","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H37 N3 Na3 Nd O26 -","- C21 H37 N3 Na3 Nd O26 -","- C42 H74 N6 Na6 Nd2 O52 -","2","1","GP5026","Serezhkin, Viktor N.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Smirnova, Ekaterina S.; Grachova, Elena V.; Ostrova, Polina V.; Antipin, Mikhail Yu.","Crystallochemical formula as a tool for describing metal‒ligand complexes ‒ a pyridine-2,6-dicarboxylate example","Acta Crystallographica Section B","2009","65","1","45","53","10.1107/S0108768108038846","","","0.71073","MoKα","","0.0318","0.028","","","0.0656","0.0678","","","","","","1.006","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104288","9.6488","0.0008","18.9547","0.0015","17.8915","0.0014","90","","91.735","0.001","90","","3270.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 Er N3 Na3 O23.5 -","- C21 H32 Er N3 Na2.997 O23.5 -","- C84 H128 Er4 N12 Na11.988 O94 -","4","1","GP5026","Serezhkin, Viktor N.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Smirnova, Ekaterina S.; Grachova, Elena V.; Ostrova, Polina V.; Antipin, Mikhail Yu.","Crystallochemical formula as a tool for describing metal‒ligand complexes ‒ a pyridine-2,6-dicarboxylate example","Acta Crystallographica Section B","2009","65","1","45","53","10.1107/S0108768108038846","","","0.71073","MoKα","","0.081","0.0619","","","0.1722","0.1853","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2104289","15.429","0.008","5.861","0.003","10.167","0.005","90","","101.83","0.05","90","","899.9","0.8","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H13 N3 O8 S2 -","- H13 N3 O8 S2 -","- H52 N12 O32 S8 -","4","0.5","GW5001","Sohn, Yoo Jung; Loose, Anja; Merz, Michael; Sparta, Karine; Klapper, Helmut; Heger, Gernot","Dynamic proton disorder and the II‒I structural phase transition in (NH~4~)~3~H(SO~4~)~2~","Acta Crystallographica Section B","2009","65","1","36","44","10.1107/S0108768108041876","","neutron","0.87238","neutron","","","0.094","","","","0.1441","","","","","","1.973","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104290","15.429","0.008","5.861","0.003","10.167","0.005","90","","101.83","0.05","90","","899.9","0.8","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H13 N3 O8 S2 -","- H13 N3 O8 S2 -","- H52 N12 O32 S8 -","4","0.5","GW5001","Sohn, Yoo Jung; Loose, Anja; Merz, Michael; Sparta, Karine; Klapper, Helmut; Heger, Gernot","Dynamic proton disorder and the II‒I structural phase transition in (NH~4~)~3~H(SO~4~)~2~","Acta Crystallographica Section B","2009","65","1","36","44","10.1107/S0108768108041876","","neutron","0.87238","neutron","","","0.0936","","","","0.1441","","","","","","1.981","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104291","7.3786","0.0005","4.3992","0.0003","6.3388","0.0005","90","","104.374","0.005","90","","199.32","0.03","293","","","","4300000","","4300000","","","","","3","C 1 2 1","C 2y","5","","bismuth borate - alpha at P = 4.3 GPa","","- B3 Bi O6 -","- B3 Bi O6 -","- B6 Bi2 O12 -","2","0.5","KD5025","Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M.","High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data","Acta Crystallographica Section B","2009","65","1","1","10","10.1107/S0108768108029340","","","0.44397","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104292","7.4781","0.0006","3.934","0.0004","6.2321","0.0006","93.728","0.008","102.933","0.006","90.756","0.007","178.24","0.03","293","","","","8340000","","8340000","","","","","3","C 1","C 1","1","","bismuth borate - epsilon at P = 8.34 GPa","","- B3 Bi O6 -","- B3 Bi O6 -","- B6 Bi2 O12 -","2","","KD5025","Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M.","High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data","Acta Crystallographica Section B","2009","65","1","1","10","10.1107/S0108768108029340","","","0.44397","synchrotron","","","","","","","","","","","","","","","","","has coordinates","209123","2020-10-21","18:00:00",""
"2104293","5.64304","0.00005","3.93188","0.00002","5.6126","0.00005","90","","89.9136","0.0006","90","","124.531","0.0017","293","","293","","","","","","","","","4","P 1 m 1","P -2y","6","","","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K0.6 Na1.4 Nb2 O6 -","2","1","KD5027","Baker, D. W.; Thomas, P. A.; Zhang, N.; Glazer, A. M.","Structural study of K~<i>x~</i>Na~1{-~<i>x</i>}NbO~3~ (KNN) for compositions in the range <i>x</i> = 0.24‒0.36","Acta Crystallographica Section B","2009","65","1","22","28","10.1107/S0108768108037361","","neutron","","neutron","","","","","","","","","","0.646","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104294","3.95092","0.00001","3.95092","0.00001","4.00852","0.00002","90","","90","","90","","62.5721","0.0004","523","","523","","","","","","","","","4","P 4 m m","P 4 -2","99","","","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","1","0.125","KD5027","Baker, D. W.; Thomas, P. A.; Zhang, N.; Glazer, A. M.","Structural study of K~<i>x~</i>Na~1{-~<i>x</i>}NbO~3~ (KNN) for compositions in the range <i>x</i> = 0.24‒0.36","Acta Crystallographica Section B","2009","65","1","22","28","10.1107/S0108768108037361","","neutron","","neutron","","","","","","","","","","0.526","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104295","7.0093","0.0001","8.9624","0.0002","19.9977","0.0004","90","","108.247","0.002","90","","1193.09","0.04","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Co2 K2 Mo3 O12 -","- Co2 K2 Mo3 O12 -","- Co8 K8 Mo12 O48 -","4","1","SN5075","Engel, J. M.; Ahsbahs, H.; Fuess, H.; Ehrenberg, H.","Polymorphism of K~2~Co~2~Mo~3~O~12~: variations in the packing schemes and changes in molybdenum coordination under high pressure","Acta Crystallographica Section B","2009","65","1","29","35","10.1107/S0108768108038536","","","0.71073","MoKα","","0.0381","0.0284","","","0.0905","0.1373","","","","","","1.237","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104296","7.0418","0.0003","19.3329","0.0007","17.7267","0.0007","90","","97.608","0.004","90","","2392.04","0.17","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co2 K2 Mo3 O12 -","- Co2 K2.032 Mo3 O12 -","- Co16 K16.256 Mo24 O96 -","8","1","SN5075","Engel, J. M.; Ahsbahs, H.; Fuess, H.; Ehrenberg, H.","Polymorphism of K~2~Co~2~Mo~3~O~12~: variations in the packing schemes and changes in molybdenum coordination under high pressure","Acta Crystallographica Section B","2009","65","1","29","35","10.1107/S0108768108038536","","","0.71073","MoKα","","0.0918","0.0378","","","0.0904","0.1209","","","","","","1.049","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104297","13.5237","0.0008","7.644","0.0004","18.85","0.001","90","","104.26","0.006","90","","1888.58","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Co2 K2 Mo3 O12 -","- Co2 K2 Mo3 O12 -","- Co16 K16 Mo24 O96 -","8","2","SN5075","Engel, J. M.; Ahsbahs, H.; Fuess, H.; Ehrenberg, H.","Polymorphism of K~2~Co~2~Mo~3~O~12~: variations in the packing schemes and changes in molybdenum coordination under high pressure","Acta Crystallographica Section B","2009","65","1","29","35","10.1107/S0108768108038536","","","0.71073","MoKα","","0.0825","0.047","","","0.0915","0.11","","","","","","1.053","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104298","16.9672","0.0009","8.0833","0.0003","25.0204","0.0005","90","","116.312","0.003","90","","3076","0.2","100","0.5","100","0.5","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C41 H26 N2 O8 -","- C41 H26 N2 O8 -","- C164 H104 N8 O32 -","4","1","SO5018","Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek","Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods","Acta Crystallographica Section B","2009","65","1","86","95","10.1107/S0108768108041827","","","1.54184","CuKα","","0.0901","0.0894","","","0.2463","0.2472","","","","","","1.026","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104299","9.2897","0.0007","10.0849","0.0007","11.0897","0.0008","103.203","0.006","111.486","0.007","107.147","0.006","855.11","0.14","140","0.5","140","2","","","","","","","","4","P 1","P 1","1","","","","- C43 H30 N2 O8 -","- C43 H30 N2 O8 -","- C43 H30 N2 O8 -","1","1","SO5018","Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek","Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods","Acta Crystallographica Section B","2009","65","1","86","95","10.1107/S0108768108041827","","","0.71073","MoKα","","0.0418","0.0311","","","0.0549","0.0577","","","","","","0.911","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104300","11.873","0.002","11.873","0.002","43.046","0.009","90","","90","","120","","5255.1","1.7","140","0.5","140","0.5","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C44 H30 N2 O8 -","- C44 H30 N2 O8 -","- C264 H180 N12 O48 -","6","1","SO5018","Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek","Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods","Acta Crystallographica Section B","2009","65","1","86","95","10.1107/S0108768108041827","","","0.71073","MoKα","","0.0996","0.0509","","","0.1051","0.126","","","","","","0.965","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104301","22.374","0.004","9.319","0.002","20.515","0.004","90","","110.14","0.03","90","","4015.9","1.6","130","0.5","130","0.5","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C46 H40 N4 O8 S -","- C46 H39.28 N4 O8 S -","- C184 H157.12 N16 O32 S4 -","4","1","SO5018","Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek","Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods","Acta Crystallographica Section B","2009","65","1","86","95","10.1107/S0108768108041827","","","0.71073","MoKα","","0.0647","0.047","","","0.0718","0.0775","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104302","22.745","0.003","11.01","0.0012","44.797","0.005","90","","103.007","0.005","90","","10930","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Iodotris(tri-p-tolylphosphine)silver(I)","","","- C63 H63 Ag I P3 -","- C63 H63 Ag I P3 -","- C504 H504 Ag8 I8 P24 -","8","1","BP5016","Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout","Polymorphism in iodotris(tri-<i>p</i>-tolylphosphine)silver(I)","Acta Crystallographica Section B","2009","65","2","182","188","10.1107/S0108768109001372","","","0.71069","MoKα","","0.0317","0.0256","","","","0.0584","","","","","","1.066","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104303","10.4056","0.0015","10.4056","0.0015","5.828","0.0012","90","","90","","120","","546.49","0.16","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.82 Ge La3 S7 -","- Ag0.821 Ge La3 S7 -","- Ag1.642 Ge2 La6 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0118","0.0113","","","0.0223","0.0224","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104304","10.3902","0.0015","10.3902","0.0015","5.8425","0.0012","90","","90","","120","","546.23","0.16","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.88 Ce3 Ge S7 -","- Ag0.881 Ce3 Ge S7 -","- Ag1.762 Ce6 Ge2 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0224","0.0214","","","0.0461","0.0464","","","","","","1.057","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104305","10.229","0.0014","10.229","0.0014","5.776","0.0011","90","","90","","120","","523.39","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.89 Ge Pr3 S7 -","- Ag0.9 Ge Pr3 S7 -","- Ag1.8 Ge2 Pr6 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0264","0.0246","","","0.0509","0.0514","","","","","","1.092","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104306","10.193","0.0014","10.193","0.0014","5.7693","0.0012","90","","90","","120","","519.11","0.15","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.84 Ge Nd3 S7 -","- Ag0.84 Ge Nd3 S7 -","- Ag1.68 Ge2 Nd6 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0161","0.0156","","","0.0345","0.0346","","","","","","1.078","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104307","10.0809","0.0014","10.0809","0.0014","5.7604","0.0012","90","","90","","120","","506.97","0.15","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.74 Ge S7 Sm3 -","- Ag0.735 Ge S7 Sm3 -","- Ag1.47 Ge2 S14 Sm6 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0142","0.014","","","0.0344","0.0344","","","","","","1.169","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104308","9.9637","0.0014","9.9637","0.0014","5.766","0.0012","90","","90","","120","","495.73","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.63 Gd3 Ge S7 -","- Ag0.62 Gd3 Ge S7 -","- Ag1.24 Gd6 Ge2 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0129","0.0128","","","0.0292","0.0292","","","","","","1.116","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104309","9.9003","0.0014","9.9003","0.0014","5.7654","0.0012","90","","90","","120","","489.39","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.59 Ge S7 Tb3 -","- Ag0.586 Ge S7 Tb3 -","- Ag1.172 Ge2 S14 Tb6 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.017","0.0169","","","0.0376","0.0376","","","","","","1.173","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104310","9.8003","0.0014","9.8003","0.0014","5.7879","0.0012","90","","90","","120","","481.43","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.51 Dy3 Ge S7 -","- Ag0.517 Dy3 Ge S7 -","- Ag1.034 Dy6 Ge2 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0162","0.0153","","","0.0313","0.0316","","","","","","1.123","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104311","9.7401","0.0014","9.7401","0.0014","5.7994","0.0012","90","","90","","120","","476.48","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.5 Ge Ho3 S7 -","- Ag0.5 Ge Ho3 S7 -","- Ag Ge2 Ho6 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.018","0.0173","","","0.0332","0.0333","","","","","","1.189","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104312","9.6921","0.0014","9.6921","0.0014","5.8308","0.0012","90","","90","","120","","474.35","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.5 Er3 Ge S7 -","- Ag0.5 Er3 Ge S7 -","- Ag Er6 Ge2 S14 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0218","0.0217","","","0.0527","0.0528","","","","","","1.151","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104313","9.809","0.0014","9.809","0.0014","5.8059","0.0012","90","","90","","120","","483.78","0.14","295","2","295","2","","","","","","","","4","P 63","P 6c","173","","","","- Ag0.5 Ge S7 Y3 -","- Ag0.5 Ge S7 Y3 -","- Ag Ge2 S14 Y6 -","2","0.333333","BP5017","Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.","Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds","Acta Crystallographica Section B","2009","65","2","126","133","10.1107/S010876810900144X","","","0.71073","MoKα","","0.0221","0.021","","","0.0438","0.0441","","","","","","1.123","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104314","6.9006","0.0003","11.8347","0.0006","14.0592","0.0007","81.811","0.004","81.032","0.009","87.541","0.01","1122.31","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pigment Yellow 213, alpha-phase","","","- C23 H21 N5 O9 -","- C23 H21 N5 O9 -","- C46 H42 N10 O18 -","2","1","OG5034","Schmidt, Martin U.; Brühne, Stefan; Wolf, Alexandra K.; Rech, Anette; Brüning, Jürgen; Alig, Edith; Fink, Lothar; Buchsbaum, Christian; Glinnemann, Jürgen; van de Streek, Jacco; Gozzo, Fabia; Brunelli, Michela; Stowasser, Frank; Gorelik, Tatiana; Mugnaioli, Enrico; Kolb, Ute","Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C~23~H~21~N~5~O~9~","Acta Crystallographica Section B","2009","65","2","189","199","10.1107/S0108768109003759","","","0.40007","synchrotron","","","","","","","","","","1.16","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104315","17.126","0.002","5.036","0.002","42.45","0.01","90","","97.36","0.02","90","","3631","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl N5 O4 -","- C18 H16 Cl N5 O4 -","- C144 H128 Cl8 N40 O32 -","8","1","OG5035","van de Streek, Jacco; Brüning, Jürgen; Ivashevskaya, Svetlana N.; Ermrich, Martin; Paulus, Erich F.; Bolte, Michael; Schmidt, Martin U.","Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data","Acta Crystallographica Section B","2009","65","2","200","211","10.1107/S0108768108041529","","","1.5418","CuKα","","0.1647","0.0784","","","0.1631","0.1984","","","","","","0.924","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104316","7.5478","0.0014","11.941","0.002","13.53","0.002","103.996","0.014","101.67","0.015","104.491","0.014","1099.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F3 N5 O4 S -","- C20 H20 F3 N5 O4 S -","- C40 H40 F6 N10 O8 S2 -","2","1","OG5035","van de Streek, Jacco; Brüning, Jürgen; Ivashevskaya, Svetlana N.; Ermrich, Martin; Paulus, Erich F.; Bolte, Michael; Schmidt, Martin U.","Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data","Acta Crystallographica Section B","2009","65","2","200","211","10.1107/S0108768108041529","","","0.71073","MoKα","","0.1161","0.0654","","","0.1443","0.1659","","","","","","0.953","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104317","8.6533","0.0007","9.117","0.0006","11.3831","0.0006","74.717","0.002","81.597","0.004","88.982","0.003","856.78","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Pigment Orange 36","","","- C17 H13 Cl N6 O5 -","- C17 H13 Cl N6 O5 -","- C34 H26 Cl2 N12 O10 -","2","1","OG5035","van de Streek, Jacco; Brüning, Jürgen; Ivashevskaya, Svetlana N.; Ermrich, Martin; Paulus, Erich F.; Bolte, Michael; Schmidt, Martin U.","Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data","Acta Crystallographica Section B","2009","65","2","200","211","10.1107/S0108768108041529","","","1.54056","CuKα~1~","","","","","","","","","","1.05","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104318","7.2689","0.0008","10.3176","0.0014","12.1761","0.0015","96.462","0.006","95.869","0.004","109.849","0.008","843.78","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pigment Orange 62","","","- C17 H14 N6 O5 -","- C17 H14 N6 O5 -","- C34 H28 N12 O10 -","2","1","OG5035","van de Streek, Jacco; Brüning, Jürgen; Ivashevskaya, Svetlana N.; Ermrich, Martin; Paulus, Erich F.; Bolte, Michael; Schmidt, Martin U.","Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data","Acta Crystallographica Section B","2009","65","2","200","211","10.1107/S0108768108041529","","","1.54056","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104319","5.1297","0.00014","9.2292","0.0003","17.4094","0.0006","95.857","0.002","95.5056","0.0017","91.798","0.0013","815.42","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pigment Yellow 151","","","- C18 H15 N5 O5 -","- C18 H15 N5 O5 -","- C36 H30 N10 O10 -","2","1","OG5035","van de Streek, Jacco; Brüning, Jürgen; Ivashevskaya, Svetlana N.; Ermrich, Martin; Paulus, Erich F.; Bolte, Michael; Schmidt, Martin U.","Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data","Acta Crystallographica Section B","2009","65","2","200","211","10.1107/S0108768108041529","","","1.54056","CuKα~1~","","","","","","","","","","1.17","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104320","14.5848","0.0005","8.5448","0.0002","13.7794","0.0004","90","","96.067","0.0019","90","","1707.63","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pigment Yellow 154","","","- C18 H14 F3 N5 O3 -","- C18 H14 F3 N5 O3 -","- C72 H56 F12 N20 O12 -","4","1","OG5035","van de Streek, Jacco; Brüning, Jürgen; Ivashevskaya, Svetlana N.; Ermrich, Martin; Paulus, Erich F.; Bolte, Michael; Schmidt, Martin U.","Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data","Acta Crystallographica Section B","2009","65","2","200","211","10.1107/S0108768108041529","","","1.54056","CuKα~1~","","","","","","","","","","1.17","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104321","22.551","0.0008","4.96366","0.00013","21.2815","0.0006","90","","109.454","0.0013","90","","2246.16","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pigment Yellow 181","","","- C25 H21 N7 O5 -","- C25 H21 N7 O5 -","- C100 H84 N28 O20 -","4","1","OG5035","van de Streek, Jacco; Brüning, Jürgen; Ivashevskaya, Svetlana N.; Ermrich, Martin; Paulus, Erich F.; Bolte, Michael; Schmidt, Martin U.","Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data","Acta Crystallographica Section B","2009","65","2","200","211","10.1107/S0108768108041529","","","1.54056","CuKα~1~","","","","","","","","","","1.09","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104322","14.7172","0.0016","5.9852","0.0005","20.7919","0.0013","90","","114.818","0.004","90","","1662.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pigment Yellow 194","","","- C18 H17 N5 O4 -","- C18 H17 N5 O4 -","- C72 H68 N20 O16 -","4","1","OG5035","van de Streek, Jacco; Brüning, Jürgen; Ivashevskaya, Svetlana N.; Ermrich, Martin; Paulus, Erich F.; Bolte, Michael; Schmidt, Martin U.","Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data","Acta Crystallographica Section B","2009","65","2","200","211","10.1107/S0108768108041529","","","1.54056","CuKα~1~","","","","","","","","","","1.15","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104323","5.574","0.003","10.925","0.003","18.801","0.005","98.605","0.019","92.35","0.03","102.77","0.03","1100.8","0.7","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 Ca Cl2 N4 O10 S2 -","- C16 H16 Ca Cl2 N4 O10 S2 -","- C32 H32 Ca2 Cl4 N8 O20 S4 -","2","1","OG5036","Ivashevskaya, Svetlana N.; van de Streek, Jacco; Djanhan, Juste E.; Brüning, Jürgen; Alig, Edith; Bolte, Michael; Schmidt, Martin U.; Blaschka, Peter; Höffken, Hans Wolfgang; Erk, Peter","Structure determination of seven phases and solvates of Pigment Yellow 183 and Pigment Yellow 191 from X-ray powder and single-crystal data","Acta Crystallographica Section B","2009","65","2","212","222","10.1107/S0108768109001827","","","1.54178","CuKα","","0.0943","0.0548","","","0.1238","0.1432","","","","","","1.018","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104324","10.5951","0.001","11.46","0.0011","15.2829","0.0015","82.876","0.008","70.639","0.008","70.015","0.007","1645.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Pigment Yellow 183 dimethylformamide trisolvate","","","- C25 H31 Ca Cl2 N7 O10 S2 -","- C25 H31 Ca Cl2 N7 O10 S2 -","- C50 H62 Ca2 Cl4 N14 O20 S4 -","2","1","OG5036","Ivashevskaya, Svetlana N.; van de Streek, Jacco; Djanhan, Juste E.; Brüning, Jürgen; Alig, Edith; Bolte, Michael; Schmidt, Martin U.; Blaschka, Peter; Höffken, Hans Wolfgang; Erk, Peter","Structure determination of seven phases and solvates of Pigment Yellow 183 and Pigment Yellow 191 from X-ray powder and single-crystal data","Acta Crystallographica Section B","2009","65","2","212","222","10.1107/S0108768109001827","","","0.71073","MoKα","","0.0436","0.026","","","0.0522","0.0542","","","","","","0.802","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104325","8.9032","0.0009","26.283","0.004","17.7857","0.0018","90","","93.887","0.008","90","","4152.3","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Pigment Yellow 183 dimethylacetamide tetrasolvate","","","- C32 H46 Ca Cl2 N8 O11 S2 -","- C32 H46 Ca Cl2 N8 O11 S2 -","- C128 H184 Ca4 Cl8 N32 O44 S8 -","4","1","OG5036","Ivashevskaya, Svetlana N.; van de Streek, Jacco; Djanhan, Juste E.; Brüning, Jürgen; Alig, Edith; Bolte, Michael; Schmidt, Martin U.; Blaschka, Peter; Höffken, Hans Wolfgang; Erk, Peter","Structure determination of seven phases and solvates of Pigment Yellow 183 and Pigment Yellow 191 from X-ray powder and single-crystal data","Acta Crystallographica Section B","2009","65","2","212","222","10.1107/S0108768109001827","","","0.71073","MoKα","","0.122","0.0783","","","0.1948","0.211","","","","","","1.019","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104326","8.1479","0.0005","13.1042","0.0008","18.1233","0.0012","90.134","0.005","99.765","0.005","104.181","0.005","1847","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Pigment Yellow 191 dimethylformamide tetrasolvate","","","- C29 H41 Ca Cl N8 O11 S2 -","- C29 H41 Ca Cl N8 O11 S2 -","- C58 H82 Ca2 Cl2 N16 O22 S4 -","2","1","OG5036","Ivashevskaya, Svetlana N.; van de Streek, Jacco; Djanhan, Juste E.; Brüning, Jürgen; Alig, Edith; Bolte, Michael; Schmidt, Martin U.; Blaschka, Peter; Höffken, Hans Wolfgang; Erk, Peter","Structure determination of seven phases and solvates of Pigment Yellow 183 and Pigment Yellow 191 from X-ray powder and single-crystal data","Acta Crystallographica Section B","2009","65","2","212","222","10.1107/S0108768109001827","","","0.71073","MoKα","","0.0349","0.0281","","","0.076","0.0773","","","","","","0.972","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104327","5.6894","0.0003","10.5943","0.0006","18.526","0.001","73.316","0.005","87.842","0.003","76.127","0.003","1037.86","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Pigment Yellow 183, alpha-phase","","","- C16 H12 Ca Cl2 N4 O8 S2 -","- C16 H12 Ca Cl2 N4 O8 S2 -","- C32 H24 Ca2 Cl4 N8 O16 S4 -","2","1","OG5036","Ivashevskaya, Svetlana N.; van de Streek, Jacco; Djanhan, Juste E.; Brüning, Jürgen; Alig, Edith; Bolte, Michael; Schmidt, Martin U.; Blaschka, Peter; Höffken, Hans Wolfgang; Erk, Peter","Structure determination of seven phases and solvates of Pigment Yellow 183 and Pigment Yellow 191 from X-ray powder and single-crystal data","Acta Crystallographica Section B","2009","65","2","212","222","10.1107/S0108768109001827","","","1.54056","CuKα~1~","","","","","","","","","","1.02","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104328","5.6915","0.0002","10.6053","0.0003","18.5569","0.0006","72.828","0.002","88.271","0.002","76.423","0.001","1039.34","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Pigment Yellow 191, alpha-phase","","","- C17 H15 Ca Cl N4 O8 S2 -","- C17 H15 Ca Cl N4 O8 S2 -","- C34 H30 Ca2 Cl2 N8 O16 S4 -","2","1","OG5036","Ivashevskaya, Svetlana N.; van de Streek, Jacco; Djanhan, Juste E.; Brüning, Jürgen; Alig, Edith; Bolte, Michael; Schmidt, Martin U.; Blaschka, Peter; Höffken, Hans Wolfgang; Erk, Peter","Structure determination of seven phases and solvates of Pigment Yellow 183 and Pigment Yellow 191 from X-ray powder and single-crystal data","Acta Crystallographica Section B","2009","65","2","212","222","10.1107/S0108768109001827","","","1.54056","CuKα~1~","","","","","","","","","","1.356","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104329","6.014","0.0001","10.8169","0.0002","18.0938","0.0003","85.677","0.001","86.392","0.001","75.783","0.001","1136.55","0.03","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Pigment Yellow 191, beta-phase","","","- C17 H19 Ca Cl N4 O10 S2 -","- C17 H19 Ca Cl N4 O10 S2 -","- C34 H38 Ca2 Cl2 N8 O20 S4 -","2","1","OG5036","Ivashevskaya, Svetlana N.; van de Streek, Jacco; Djanhan, Juste E.; Brüning, Jürgen; Alig, Edith; Bolte, Michael; Schmidt, Martin U.; Blaschka, Peter; Höffken, Hans Wolfgang; Erk, Peter","Structure determination of seven phases and solvates of Pigment Yellow 183 and Pigment Yellow 191 from X-ray powder and single-crystal data","Acta Crystallographica Section B","2009","65","2","212","222","10.1107/S0108768109001827","","","0.649819","synchrotron","","","","","","","","","","0.769","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104330","16.7247","0.0018","15.707","0.0016","11.2154","0.0011","90","","90","","90","","2946.2","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H32 Cl3 N O8 -","- C30 H32 Cl3 N O8 -","- C120 H128 Cl12 N4 O32 -","4","0.5","RY5022","Zeller, Matthias; Lutz Jr, Marlon R.; Becker, Daniel P.","An aza-cyclophane stacked in racemic columnar assemblies: whole-molecule disorder in a two-dimensional solid solution","Acta Crystallographica Section B","2009","65","2","223","229","10.1107/S0108768109002134","","","0.71073","MoKα","","0.0955","0.0768","","","0.2042","0.2223","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104331","12.9673","0.0015","10.7883","0.0013","30.264","0.004","90","","101.796","0.001","90","","4144.4","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C45.76 H59.52 O6.88 -","- C45.76 H59.52 O6.88 -","- C183.04 H238.08 O27.52 -","4","0.5","RY5026","Bartalucci, Giuditta; Fisher, Stuart; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Warren, John E.; Wilkinson, James","X-ray crystal structures of diacetates of 6-s-<i>cis</i> and 6-s-<i>trans</i> astaxanthin and of 7,8-didehydroastaxanthin and 7,8,7',8'-tetradehydroastaxanthin: comparison with free and protein-bound astaxanthins","Acta Crystallographica Section B","2009","65","2","238","247","10.1107/S0108768109004649","","","0.71073","MoKα","","0.1003","0.0854","","","0.2111","0.2179","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2104332","10.6598","0.001","10.1683","0.001","18.294","0.0018","90","","100.7","0.002","90","","1948.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 O6 -","- C44 H56 O6 -","- C88 H112 O12 -","2","0.5","RY5026","Bartalucci, Giuditta; Fisher, Stuart; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Warren, John E.; Wilkinson, James","X-ray crystal structures of diacetates of 6-s-<i>cis</i> and 6-s-<i>trans</i> astaxanthin and of 7,8-didehydroastaxanthin and 7,8,7',8'-tetradehydroastaxanthin: comparison with free and protein-bound astaxanthins","Acta Crystallographica Section B","2009","65","2","238","247","10.1107/S0108768109004649","","","0.71073","MoKα","","0.0839","0.0653","","","0.1668","0.1749","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2104333","7.7821","0.0004","9.9578","0.0005","11.4162","0.0005","88.126","0.001","78.329","0.001","84.34","0.001","862.08","0.07","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C40 H50 O4 -","- C40 H50 O4 -","- C40 H50 O4 -","1","1","RY5026","Bartalucci, Giuditta; Fisher, Stuart; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Warren, John E.; Wilkinson, James","X-ray crystal structures of diacetates of 6-s-<i>cis</i> and 6-s-<i>trans</i> astaxanthin and of 7,8-didehydroastaxanthin and 7,8,7',8'-tetradehydroastaxanthin: comparison with free and protein-bound astaxanthins","Acta Crystallographica Section B","2009","65","2","238","247","10.1107/S0108768109004649","","","0.6709","synchrotron","","0.0475","0.0459","","","0.1245","0.1261","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104334","7.4769","0.0014","10.4729","0.0019","11.633","0.002","75.606","0.002","85.901","0.002","76.389","0.002","857.5","0.3","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C40 H48 O4 -","- C40 H48 O4 -","- C40 H48 O4 -","1","1","RY5026","Bartalucci, Giuditta; Fisher, Stuart; Helliwell, John R.; Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Warren, John E.; Wilkinson, James","X-ray crystal structures of diacetates of 6-s-<i>cis</i> and 6-s-<i>trans</i> astaxanthin and of 7,8-didehydroastaxanthin and 7,8,7',8'-tetradehydroastaxanthin: comparison with free and protein-bound astaxanthins","Acta Crystallographica Section B","2009","65","2","238","247","10.1107/S0108768109004649","","","0.671","synchrotron","","0.0853","0.042","","","0.0926","0.1048","","","","","","1.012","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104335","12.107","0.001","12.107","0.001","11.0911","0.0018","90","","90","","90","","1625.7","0.3","295","2","295","2","","","","","","","","3","P 43","P 4cw","78","CaTeO3","calcium(II) tellurium(IV) oxide - alpha","","- Ca O3 Te -","- Ca O3 Te -","- Ca20 O60 Te20 -","20","5","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0337","0.0298","","","0.0569","0.058","","","","","","1.025","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104336","25.6201","0.0004","10.2408","0.0002","11.3279","0.0002","107.218","0.001","110.245","0.002","33.016","0.001","1519.28","0.06","275","2","275","2","","","","","","","","3","P 1","P 1","1","","calcium(II) tellurium(IV) oxide - beta","","- Ca O3 Te -","- Ca O3 Te -","- Ca18 O54 Te18 -","18","18","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0855","0.0525","","","0.0999","0.113","","","","","","1.044","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104337","25.622","0.0004","10.2426","0.0002","11.3327","0.0002","107.218","0.001","110.245","0.002","33.019","0.001","1520.42","0.06","295","2","295","2","","","","","","","","3","P 1","P 1","1","","calcium(II) tellurium(IV) oxide - beta","","- Ca O3 Te -","- Ca O3 Te -","- Ca18 O54 Te18 -","18","18","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0848","0.0506","","","0.0927","0.1054","","","","","","1.044","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104338","25.6231","0.0004","10.2467","0.0002","11.3413","0.0002","107.232","0.001","110.255","0.002","33.02","0.001","1522.19","0.06","325","2","273","2","","","","","","","","3","P -1","-P 1","2","","calcium(II) tellurium(IV) oxide - beta","","- Ca O3 Te -","- Ca O3 Te -","- Ca18 O54 Te18 -","18","9","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0883","0.051","","","0.0859","0.0943","","","","","","1.122","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104339","25.6225","0.0009","10.2491","0.0004","11.3482","0.0004","107.238","0.001","110.26","0.001","33.022","0.001","1523.47","0.11","350","2","350","2","","","","","","","","3","P -1","-P 1","2","","calcium(II) tellurium(IV) oxide - beta","","- Ca O3 Te -","- Ca O3 Te -","- Ca18 O54 Te18 -","18","9","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0817","0.0427","","","0.0735","0.0832","","","","","","1.022","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104340","25.599","0.0005","10.3871","0.0002","11.2384","0.0003","108.62","0.001","112.398","0.002","32.307","0.002","1476.6","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","calcium(II) tellurium(IV) oxide - beta prime","","- Ca O3 Te -","- Ca O3 Te -","- Ca18 O54 Te18 -","18","9","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0605","0.0386","","","0.0777","0.0859","","","","","","1.011","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104341","25.6149","0.0004","10.3921","0.0002","11.244","0.0002","108.608","0.001","112.394","0.002","32.313","0.001","1479.25","0.06","250","2","250","2","","","","","","","","3","P -1","-P 1","2","","calcium(II) tellurium(IV) oxide - beta prime","","- Ca O3 Te -","- Ca O3 Te -","- Ca18 O54 Te18 -","18","9","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0595","0.034","","","0.0593","0.0658","","","","","","1.01","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104342","25.6215","0.0005","10.3933","0.0002","11.2481","0.0002","108.604","0.009","112.393","0.013","32.319","0.001","1480.59","0.16","275","2","275","2","","","","","","","","3","P -1","-P 1","2","","calcium(II) tellurium(IV) oxide - beta prime","","- Ca O3 Te -","- Ca O3 Te -","- Ca18 O54 Te18 -","18","9","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0623","0.0344","","","0.0606","0.0679","","","","","","1.013","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104343","8.401","0.0017","5.6913","0.0011","22.68","0.005","90","","110.82","0.03","90","","1013.6","0.3","293","2","293","2","","","","","","","","3","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","calcium(II) tellurium(IV) oxide - gamma","","- Ca O3 Te -","- Ca O3 Te -","- Ca12 O36 Te12 -","12","","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0503","0.0441","","","0.0955","0.0985","","","","","","1.204","","","","has coordinates,has disorder,has Fobs","277834","2022-09-14","16:39:44",""
"2104344","8.5689","0.0017","5.7805","0.0011","11.553","0.002","90","","109.975","0.003","90","","537.83","0.18","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","calcium(II) strontium(II) tellurium(IV) oxide (0.55/0.45/1/3)","","- Ca0.55 O3 Sr0.45 Te -","- Ca0.553667 O3 Sr0.446333 Te -","- Ca3.322 O18 Sr2.678 Te6 -","6","3","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0197","0.0192","","","0.0443","0.0445","","","","","","1.056","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104345","8.4941","0.0006","5.7368","0.0004","11.4562","0.0008","90","","110.081","0.001","90","","524.31","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Ca0.77Sr0.23TeO3","calcium(II) strontium(II) tellurium(IV) oxide (0.77/0.23/1/3)","","- Ca0.77 O3 Sr0.23 Te -","- Ca0.771 O3 Sr0.229 Te -","- Ca4.626 O18 Sr1.374 Te6 -","6","3","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0194","0.019","","","0.0445","0.045","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104346","8.401","0.0017","5.6913","0.0011","22.68","0.005","90","","110.82","0.03","90","","1013.6","0.3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","calcium(II) tellurium(IV) oxide - gamma MDO2 idealised","","- Ca O3 Te -","- Ca O3 Te -","- Ca12 O36 Te12 -","12","3","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104347","8.5689","0.0017","5.7805","0.0011","11.553","0.002","90","","109.975","0.003","90","","537.83","0.18","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","calcium(II) strontium(II) tellurium(IV) oxide (0.55/0.45/1/3) idealised","","- Ca0.55 O3 Sr0.45 Te -","- Ca O3 Te -","- Ca6 O18 Te6 -","6","3","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104348","8.4941","0.0006","5.7368","0.0004","11.4562","0.0008","90","","110.081","0.001","90","","524.31","0.06","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","calcium(II) strontium(II) tellurium(IV) oxide (0.77/0.23/1/3) - idealised","","- Ca O3 Te -","- Ca O3 Te -","- Ca6 O18 Te6 -","6","3","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104349","11.1992","0.0001","5.4662","0.0001","13.7267","0.0002","90","","107.256","0.001","90","","802.49","0.02","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","coumarin-3-carboxylic acid","","","- C10 H6 O4 -","- C10 H6 O4 -","- C40 H24 O16 -","4","1","SO5021","Howard, Judith A. K.; Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.","<i>Trans</i>-cinnamic acid and coumarin-3-carboxylic acid: experimental charge-density studies to shed light on [2+2] cycloaddition reactions","Acta Crystallographica Section B","2009","65","2","230","237","10.1107/S0108768109001566","","","0.71073","MoKα","","0.028","0.016","","","","0.014","","","","","","1.669","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104350","5.5504","0.0001","17.5427","0.0001","7.7161","0.0001","90","","96.296","0.001","90","","746.778","0.017","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","trans-cinnamic acid","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","SO5021","Howard, Judith A. K.; Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.","<i>Trans</i>-cinnamic acid and coumarin-3-carboxylic acid: experimental charge-density studies to shed light on [2+2] cycloaddition reactions","Acta Crystallographica Section B","2009","65","2","230","237","10.1107/S0108768109001566","","","0.71073","MoKα","","0.038","0.018","","","","0.014","","","","","","1.741","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104351","10.37908","0.00011","8.55572","0.00009","9.35394","0.0001","90","","98.4667","0.0009","90","","821.582","0.015","298","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Mn0.6 O7 V2 Zn1.4 -","- Mn0.6 O7 V2 Zn1.4 -","- Mn3.6 O42 V12 Zn8.4 -","6","0.75","WH5004","Knowles, Kevin M.; Vickers, Mary E.; Sil, Anjan; Han, Yung-Hoe; Jaffrenou, Périne","X-ray powder diffraction and electron diffraction studies of the thortveitite-related <i>L</i> phase, (Zn,Mn)~2~V~2~O~7~","Acta Crystallographica Section B","2009","65","2","160","166","10.1107/S0108768108042444","","","1.5418","CuKα","","0.032","","","","","","","","1.15","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104352","6.425","0.002","6.522","0.002","22.716","0.006","90","","90.739","0.011","90","","951.8","0.5","100","","100","","","","","","","","","5","P21(\a0\g)0","","","","(6R,7aS)-6-(tert-Butyl-dimethyl-silanyloxy)-1-hydroxy-2-phenyl-5,6,7,7a- tetrahydro-pyrrolizin-3-one","","- C19 H27 N O3 Si -","- C19 H27 N O3 Si -","- C38 H54 N2 O6 Si2 -","2","","BK5084","Wagner, Trixie; Schönleber, Andreas","A non-mathematical introduction to the superspace description of modulated structures","Acta Crystallographica Section B","2009","65","3","249","268","10.1107/S0108768109015614","","","1.5418","CuKα","","0.0424","0.0363","","","0.0412","0.0418","","","","","","2.38","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104353","14.3479","0.001","15.2867","0.0011","8.6765","0.0006","90","","90","","90","","1903","0.2","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","Hantzsch 1,4-dihydropyridine ester","diethyl-2,6-dimethyl-1,4 dihydro-4-(3-nitrophenyl)-3,5-pyridine dicarboxylate","","- C19 H22 N2 O6 -","- C19 H22 N2 O6 -","- C76 H88 N8 O24 -","4","1","EB5001","Rathore, R. S.; Reddy, B. Palakshi; Vijayakumar, V.; Ragavan, R. Venkat; Narasimhamurthy, T.","Hantzsch 1,4-dihydropyridine esters and analogs: candidates for generating reproducible one-dimensional packing motifs","Acta Crystallographica Section B","2009","65","3","375","381","10.1107/S0108768109004832","","","0.71073","MoKα","","0.0635","0.0454","","","0.0984","0.1072","","","","","","1.111","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104354","7.553","0.0009","13.5745","0.0016","19.154","0.002","90","","90","","90","","1963.8","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hantzsch 1,4-dihydropyridine ester","diethyl-2,6-dimethyl-1,4-dihydro-4-(4-hydroxy-3-methoxyphenyl)- 3,5-pyridine dicarboxylate","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","EB5001","Rathore, R. S.; Reddy, B. Palakshi; Vijayakumar, V.; Ragavan, R. Venkat; Narasimhamurthy, T.","Hantzsch 1,4-dihydropyridine esters and analogs: candidates for generating reproducible one-dimensional packing motifs","Acta Crystallographica Section B","2009","65","3","375","381","10.1107/S0108768109004832","","","0.71073","MoKα","","0.136","0.0679","","","0.1661","0.222","","","","","","1.035","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104355","9.7834","0.0007","7.4749","0.0005","26.6788","0.0018","90","","98.171","0.001","90","","1931.2","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hantzsch 1,4-dihydropyridine ester","diethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine- 3,5-dicarboxylate","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","EB5001","Rathore, R. S.; Reddy, B. Palakshi; Vijayakumar, V.; Ragavan, R. Venkat; Narasimhamurthy, T.","Hantzsch 1,4-dihydropyridine esters and analogs: candidates for generating reproducible one-dimensional packing motifs","Acta Crystallographica Section B","2009","65","3","375","381","10.1107/S0108768109004832","","","0.71073","MoKα","","0.0799","0.053","","","0.1331","0.1491","","","","","","1.05","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104356","8.842","0.0007","16.0785","0.0014","11.2188","0.001","90","","104.606","0.002","90","","1543.4","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hantzsch 1,4-dihydropyridine ester analog","3, 5-diacetyl-2, 6-dimethyl -1, 4 dihydro-4-(3-nitrophenyl)-3, 5-pyridine","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","EB5001","Rathore, R. S.; Reddy, B. Palakshi; Vijayakumar, V.; Ragavan, R. Venkat; Narasimhamurthy, T.","Hantzsch 1,4-dihydropyridine esters and analogs: candidates for generating reproducible one-dimensional packing motifs","Acta Crystallographica Section B","2009","65","3","375","381","10.1107/S0108768109004832","","","0.71073","MoKα","","0.1063","0.0646","","","0.1118","0.1264","","","","","","1.107","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104357","5.797","0.003","5.797","0.003","13.301","0.003","90","","90","","120","","387.1","0.3","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Bariumvandate","","","- Ba O11 V6 -","- Ba O11 V6 -","- Ba2 O22 V12 -","2","0.0833333","EB5003","Friese, Karen; Kanke, Yasushi; Grzechnik, Andrzej","Characterization of the pressure-induced second-order phase transition in the mixed-valence vanadate BaV~6~O~11~","Acta Crystallographica Section B","2009","65","3","326","333","10.1107/S010876810901444X","","","0.71073","MoKα","","0.0673","0.0367","","","0.0282","0.0314","","","","","","1.39","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104358","5.785","0.003","5.785","0.003","13.266","0.004","90","","90","","120","","384.5","0.3","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Bariumvandadate","","","- Ba O11 V6 -","- Ba O11 V6 -","- Ba2 O22 V12 -","2","0.0833333","EB5003","Friese, Karen; Kanke, Yasushi; Grzechnik, Andrzej","Characterization of the pressure-induced second-order phase transition in the mixed-valence vanadate BaV~6~O~11~","Acta Crystallographica Section B","2009","65","3","326","333","10.1107/S010876810901444X","","","0.71073","MoKα","","0.0984","0.0321","","","0.0246","0.0319","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104359","5.775","0.003","5.775","0.003","13.238","0.004","90","","90","","120","","382.3","0.3","293","","293","","","","","","","","","3","P 63 m c","P 6c -2c","186","Bariumvanadate","","","- Ba O11 V6 -","- Ba O11 V6 -","- Ba2 O22 V12 -","2","0.166667","EB5003","Friese, Karen; Kanke, Yasushi; Grzechnik, Andrzej","Characterization of the pressure-induced second-order phase transition in the mixed-valence vanadate BaV~6~O~11~","Acta Crystallographica Section B","2009","65","3","326","333","10.1107/S010876810901444X","","","0.71073","MoKα","","0.0891","0.0284","","","0.0193","0.0253","","","","","","0.75","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104360","5.763","0.003","5.763","0.003","13.206","0.004","90","","90","","120","","379.8","0.3","293","","293","","","","","","","","","3","P 63 m c","P 6c -2c","186","Bariumvandate","","","- Ba O11 V6 -","- Ba O11 V6 -","- Ba2 O22 V12 -","2","0.166667","EB5003","Friese, Karen; Kanke, Yasushi; Grzechnik, Andrzej","Characterization of the pressure-induced second-order phase transition in the mixed-valence vanadate BaV~6~O~11~","Acta Crystallographica Section B","2009","65","3","326","333","10.1107/S010876810901444X","","","0.71073","MoKα","","0.0757","0.0274","","","0.0214","0.0266","","","","","","0.77","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104361","5.754","0.003","5.754","0.003","13.182","0.004","90","","90","","120","","378","0.3","293","","293","","","","","","","","","3","P 63 m c","P 6c -2c","186","Bariumvanadate","","","- Ba O11 V6 -","- Ba O11 V6 -","- Ba2 O22 V12 -","2","0.166667","EB5003","Friese, Karen; Kanke, Yasushi; Grzechnik, Andrzej","Characterization of the pressure-induced second-order phase transition in the mixed-valence vanadate BaV~6~O~11~","Acta Crystallographica Section B","2009","65","3","326","333","10.1107/S010876810901444X","","","0.71073","MoKα","","0.0637","0.0318","","","0.025","0.0276","","","","","","0.95","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104362","5.746","0.003","5.746","0.003","13.16","0.004","90","","90","","120","","376.3","0.3","293","","293","","","","","","","","","3","P 63 m c","P 6c -2c","186","Bariumvanadate","","","- Ba O11 V6 -","- Ba O11 V6 -","- Ba2 O22 V12 -","2","0.166667","EB5003","Friese, Karen; Kanke, Yasushi; Grzechnik, Andrzej","Characterization of the pressure-induced second-order phase transition in the mixed-valence vanadate BaV~6~O~11~","Acta Crystallographica Section B","2009","65","3","326","333","10.1107/S010876810901444X","","","0.71073","MoKα","","0.071","0.0308","","","0.025","0.0279","","","","","","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104363","5.739","0.004","5.739","0.004","13.144","0.004","90","","90","","120","","374.9","0.4","293","","293","","","","","","","","","3","P 63 m c","P 6c -2c","186","Bariumvanadate","","","- Ba O11 V6 -","- Ba O11 V6 -","- Ba2 O22 V12 -","2","0.166667","EB5003","Friese, Karen; Kanke, Yasushi; Grzechnik, Andrzej","Characterization of the pressure-induced second-order phase transition in the mixed-valence vanadate BaV~6~O~11~","Acta Crystallographica Section B","2009","65","3","326","333","10.1107/S010876810901444X","","","0.71069","MoKα","","0.0842","0.0267","","","0.0203","0.027","","","","","","0.69","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104364","7.0915","0.0003","9.2149","0.0004","11.6015","0.0005","90","","97.865","0.001","90","","751","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","GW5002","Bouhmaida, Nouzha; Bonhomme, François; Guillot, Benoît; Jelsch, Christian; Ghermani, Nour Eddine","Charge density and electrostatic potential analyses in paracetamol","Acta Crystallographica Section B","2009","65","3","363","374","10.1107/S0108768109008271","","","0.71073","MoKα","","","0.018","","","","0.0205","","","","","","0.887","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104365","9.1646","0.0009","9.2029","0.0008","9.2102","0.0008","95.858","0.006","96.29","0.007","96.507","0.002","761.97","0.12","294","","294","","","","","","","","","4","P -1","-P 1","2","","","","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl8 Cu16 H24 O24 -","8","4","HW5003","Malcherek, Thomas; Schlüter, Jochen","Structures of the pseudo-trigonal polymorphs of Cu~2~(OH)~3~Cl","Acta Crystallographica Section B","2009","65","3","334","341","10.1107/S0108768109013901","","","0.71073","MoKα","","0.0595","0.0414","","","0.1632","0.1907","","","","","","1.33","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104366","6.1226","0.0003","6.8346","0.0004","9.1841","0.0006","90","","99.577","0.004","90","","378.96","0.04","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl4 Cu8 H12 O12 -","4","1","HW5003","Malcherek, Thomas; Schlüter, Jochen","Structures of the pseudo-trigonal polymorphs of Cu~2~(OH)~3~Cl","Acta Crystallographica Section B","2009","65","3","334","341","10.1107/S0108768109013901","","","0.71073","MoKα","","0.0673","0.0403","","","0.103","0.1223","","","","","","1.08","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104367","6.241","0.002","8.214","0.003","10.411","0.005","94.92","0.04","106","0.05","107.55","0.03","480.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Calcium tartrate tetrahydrate","Calcium tartrate tetrahydrate","","- C4 H12 Ca O10 -","- C4 H12 Ca O10 -","- C8 H24 Ca2 O20 -","2","1","KD5029","Le Bail, A.; Bazin, D.; Daudon, M.; Brochot, A.; Robbez-Masson, V.; Maisonneuve, V.","Racemic calcium tartrate tetrahydrate [form (II)] in rat urinary stones","Acta Crystallographica Section B","2009","65","3","350","354","10.1107/S0108768109013688","","","0.71069","MoKα","","0.1122","0.0647","","","0.1655","0.1874","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104368","11.4912","0.0001","11.4912","0.0001","16.789","0.0002","90","","90","","90","","2216.95","0.04","120","2","120","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H24 N5 O2 P3 S2 -","- C18 H24 N5 O2 P3 S2 -","- C72 H96 N20 O8 P12 S8 -","4","1","RY5024","Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem","Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography","Acta Crystallographica Section B","2009","65","3","355","362","10.1107/S0108768109006120","","","0.71073","MoKα","","0.0193","0.0188","","","0.0491","0.0494","","","","","","1.039","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104369","11.4899","0.0001","11.4899","0.0001","16.7827","0.0002","90","","90","","90","","2215.62","0.04","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H24 N5 O2 P3 S2 -","- C18 H24 N5 O2 P3 S2 -","- C72 H96 N20 O8 P12 S8 -","4","1","RY5024","Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem","Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography","Acta Crystallographica Section B","2009","65","3","355","362","10.1107/S0108768109006120","","","0.71073","MoKα","","0.0304","0.0275","","","0.0645","0.0661","","","","","","1.033","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104370","38.7541","0.0016","10.1505","0.0004","10.555","0.0005","90","","90","","90","","4152.1","0.3","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H24 N5 O4 P3 -","- C18 H24 N5 O4 P3 -","- C144 H192 N40 O32 P24 -","8","1","RY5024","Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem","Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography","Acta Crystallographica Section B","2009","65","3","355","362","10.1107/S0108768109006120","","","0.71073","MoKα","","0.0762","0.0619","","","0.125","0.1348","","","","","","1.081","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104371","10.492","0.0001","10.492","0.0001","16.6645","0.0003","90","","90","","120","","1588.69","0.04","120","2","120","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H24 N5 O4 P3 -","- C18 H24 N5 O4 P3 -","- C54 H72 N15 O12 P9 -","3","1","RY5024","Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem","Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography","Acta Crystallographica Section B","2009","65","3","355","362","10.1107/S0108768109006120","","","0.71073","MoKα","","0.0293","0.0288","","","0.071","0.0715","","","","","","1.021","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104372","6.3073","0.0001","17.6438","0.0004","9.5481","0.0002","90","","96.552","0.001","90","","1055.62","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N5 O4 P3 -","- C18 H24 N5 O4 P3 -","- C36 H48 N10 O8 P6 -","2","1","RY5024","Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem","Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography","Acta Crystallographica Section B","2009","65","3","355","362","10.1107/S0108768109006120","","","0.71073","MoKα","","0.0294","0.0282","","","0.0645","0.0654","","","","","","1.01","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104373","19.1663","0.0001","19.1663","0.0001","19.1663","0.0001","90","","90","","90","","7040.68","0.06","293","2","293","2","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Al282.23 Ta161.77 -","- Al282.066 Ta161.774 -","- Al282.066 Ta161.774 -","1","0.0104167","SN5082","Weber, Thomas; Dshemuchadse, Julia; Kobas, Miroslav; Conrad, Matthias; Harbrecht, Bernd; Steurer, Walter","Large, larger, largest ‒ a family of cluster-based tantalum copper aluminides with giant unit cells. I. Structure solution and refinement","Acta Crystallographica Section B","2009","65","3","308","317","10.1107/S0108768109014001","","","0.71073","MoKα","","0.0602","0.0383","","","0.0807","0.0843","","","","","","0.895","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104374","45.376","0.001","45.376","0.001","45.376","0.001","90","","90","","90","","93428","4","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Al3339.8 Cu231.95 Ta2336 -","- Al3339.98 Cu231.992 Ta2335.84 -","- Al3339.98 Cu231.992 Ta2335.84 -","1","0.0104167","SN5082","Weber, Thomas; Dshemuchadse, Julia; Kobas, Miroslav; Conrad, Matthias; Harbrecht, Bernd; Steurer, Walter","Large, larger, largest ‒ a family of cluster-based tantalum copper aluminides with giant unit cells. I. Structure solution and refinement","Acta Crystallographica Section B","2009","65","3","308","317","10.1107/S0108768109014001","","","0.6926","synchrotron","","0.019","0.0186","","","0.0457","0.0459","","","","","","1.077","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104375","71.49","0.004","71.49","0.004","71.49","0.004","90","","90","","90","","365373","4","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Al12827.56 Cu1244.05 Ta9063 -","- Al12828.3 Cu1243.39 Ta9062.6 -","- Al12828.3 Cu1243.39 Ta9062.6 -","1","0.0104167","SN5082","Weber, Thomas; Dshemuchadse, Julia; Kobas, Miroslav; Conrad, Matthias; Harbrecht, Bernd; Steurer, Walter","Large, larger, largest ‒ a family of cluster-based tantalum copper aluminides with giant unit cells. I. Structure solution and refinement","Acta Crystallographica Section B","2009","65","3","308","317","10.1107/S0108768109014001","","","0.7085","synchrotron","","0.0237","0.0237","","","0.0611","0.0611","","","","","","1.123","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104376","5.51848","0.00004","5.51848","0.00004","13.78476","0.00015","90","","90","","120","","363.554","0.005","","","50","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.96","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104377","5.51972","0.00005","5.51972","0.00005","13.7835","0.00016","90","","90","","120","","363.684","0.006","","","100","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.87","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104378","5.52229","0.00005","5.52229","0.00005","13.78243","0.00016","90","","90","","120","","363.995","0.006","","","150","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.9","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104379","5.52539","0.00005","5.52539","0.00005","13.78058","0.00017","90","","90","","120","","364.354","0.006","","","200","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.9","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104380","5.52922","0.00005","5.52922","0.00005","13.77931","0.00017","90","","90","","120","","364.826","0.006","","","250","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.91","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104381","5.59214","0.00006","5.59214","0.00006","13.843","0.0002","90","","90","","120","","374.901","0.008","","","100","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K1.8 Na4.2 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.65","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104382","5.59326","0.00006","5.59326","0.00006","13.8432","0.0002","90","","90","","120","","375.057","0.008","","","120","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K1.8 Na4.2 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.65","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104383","5.59447","0.00006","5.59447","0.00006","13.8429","0.0003","90","","90","","120","","375.211","0.01","","","140","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K1.8 Na4.2 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.67","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104384","5.59575","0.00006","5.59575","0.00006","13.8429","0.0003","90","","90","","120","","375.383","0.01","","","160","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K1.8 Na4.2 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.7","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104385","5.59717","0.0001","5.59717","0.0001","13.8423","0.0004","90","","90","","120","","375.557","0.014","","","180","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K1.8 Na4.2 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","2.05","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104386","5.60123","0.00012","7.79834","0.00015","5.548","0.00014","90","","90.051","0.004","90","","242.338","0.009","","","300","","","","","","","","","4","P 1 m 1","P -2y","6","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.2 Na3.8 Nb4 O12 -","4","2","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.73","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104387","5.5298","0.0003","5.5298","0.0003","13.7692","0.0011","90","","90","","120","","364.63","0.04","","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.73","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104388","5.65868","0.00012","3.93856","0.00005","5.6248","0.00013","90","","90.073","0.003","90","","125.36","0.004","","","200","","","","","","","","","4","P 1 m 1","P -2y","6","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K0.6 Na1.4 Nb2 O6 -","2","1","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.42","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104389","15.0501","0.0005","5.9011","0.0003","7.5322","0.0005","90","","101.566","","90","","655.37","0.06","298","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","","","","","- Bi O6 Pb2 V -","- Bi O6 Pb2 V -","- Bi4 O24 Pb8 V4 -","4","1","BP5019","Roussel, Pascal; Labidi, Olfa; Huve, Marielle; Drache, Michel; Wignacourt, Jean-Pierre; Petricek, Vaclav","The incommensurately modulated crystal structure of β-Pb~2~BiVO~6~: interpretation of the phase transition α →β \ρightarrow δ and conduction properties of related materials","Acta Crystallographica Section B","2009","65","4","416","425","10.1107/S0108768109020898","","","0.71073","MoKα","","0.0362","0.0362","","","0.0321","0.0321","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104390","13.1528","0.0002","13.7179","0.0002","16.5876","0.0002","87.8019","0.0012","70.8182","0.0013","83.8446","0.0014","2810.41","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H150 N24 O24 P6 -","- C90 H150 N24 O24 P6 -","- C90 H150 N24 O24 P6 -","1","0.5","BP5021","Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Della Védova, Carlos O.","Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: <i>N</i>-(3-nitrobenzoyl)-<i>N</i>',<i>N</i>''-bis(<i>tert</i>-butyl)phosphoric triamide","Acta Crystallographica Section B","2009","65","4","502","508","10.1107/S0108768109020023","","","0.71073","MoKα","","0.0692","0.0416","","","0.0432","0.0443","","","","","","1.79","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104391","4.4387","0.0006","4.4387","0.0006","19.942","0.004","90","","90","","120","","340.26","0.09","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Be2 F2 O3 Tl -","- B Be2 F2 O3 Tl -","- B3 Be6 F6 O9 Tl3 -","3","0.166667","BP5022","McMillen, Colin D.; Hu, Jia; VanDerveer, Donald; Kolis, Joseph W.","Trigonal structures of <i>A</i>Be~2~BO~3~F~2~ (<i>A</i> = Rb, Cs, Tl) crystals","Acta Crystallographica Section B","2009","65","4","445","449","10.1107/S0108768109024161","","","0.71073","MoKα","","0.0378","0.0349","","","0.0832","0.0844","","","","","","1.195","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104392","4.4387","0.0006","4.4387","0.0006","19.82","0.004","90","","90","","120","","338.18","0.09","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Be2 F2 O3 Rb -","- B Be2 F2 O3 Rb -","- B3 Be6 F6 O9 Rb3 -","3","0.166667","BP5022","McMillen, Colin D.; Hu, Jia; VanDerveer, Donald; Kolis, Joseph W.","Trigonal structures of <i>A</i>Be~2~BO~3~F~2~ (<i>A</i> = Rb, Cs, Tl) crystals","Acta Crystallographica Section B","2009","65","4","445","449","10.1107/S0108768109024161","","","0.71073","MoKα","","0.0362","0.036","","","0.0808","0.0808","","","","","","1.18","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104393","4.4575","0.0006","4.4575","0.0006","21.31","0.004","90","","90","","120","","366.69","0.1","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Be2 Cs F2 O3 -","- B Be2 Cs F2 O3 -","- B3 Be6 Cs3 F6 O9 -","3","0.166667","BP5022","McMillen, Colin D.; Hu, Jia; VanDerveer, Donald; Kolis, Joseph W.","Trigonal structures of <i>A</i>Be~2~BO~3~F~2~ (<i>A</i> = Rb, Cs, Tl) crystals","Acta Crystallographica Section B","2009","65","4","445","449","10.1107/S0108768109024161","","","0.71073","MoKα","","0.0156","0.0156","","","0.0341","0.0341","","","","","","1.247","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104394","13.6371","0.0005","13.6689","0.0005","13.728","0.0005","90","","90","","90","","2558.96","0.16","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","cesium magnesium leucite","dicesium magnesium pentasilicate","","- Cs2 Mg O12 Si5 -","- Cs2 Mg O12 Si5 -","- Cs16 Mg8 O96 Si40 -","8","1","HW5004","Bell, A. M. T.; Henderson, C. M. B.","Crystal structures and cation ordering in Cs~2~MgSi~5~O~12~, Rb~2~MgSi~5~O~12~ and Cs~2~ZnSi~5~O~12~ leucites","Acta Crystallographica Section B","2009","65","4","435","444","10.1107/S0108768109024860","powder diffraction","","0.993773","Synchrotron","","0.0555","","","","","","","","2.786","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104395","13.422","0.001","13.406","0.001","13.73","0.001","90","","90","","90","","2470.5","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","rubidium magnesium leucite","dicesium rubidium pentasilicate","","- Mg O12 Rb2 Si5 -","- Mg O12 Rb2 Si5 -","- Mg8 O96 Rb16 Si40 -","8","1","HW5004","Bell, A. M. T.; Henderson, C. M. B.","Crystal structures and cation ordering in Cs~2~MgSi~5~O~12~, Rb~2~MgSi~5~O~12~ and Cs~2~ZnSi~5~O~12~ leucites","Acta Crystallographica Section B","2009","65","4","435","444","10.1107/S0108768109024860","powder diffraction","","1.5051","Synchrotron","","0.0662","","","","","","","","2.152","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104396","13.6415","0.0009","13.6233","0.0008","13.6653","0.0009","90","","90","","90","","2539.6","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","cesium zinc leucite","dicesium zinc pentasilicate","","- Cs2 O12 Si5 Zn -","- Cs2 O12 Si5 Zn -","- Cs16 O96 Si40 Zn8 -","8","1","HW5004","Bell, A. M. T.; Henderson, C. M. B.","Crystal structures and cation ordering in Cs~2~MgSi~5~O~12~, Rb~2~MgSi~5~O~12~ and Cs~2~ZnSi~5~O~12~ leucites","Acta Crystallographica Section B","2009","65","4","435","444","10.1107/S0108768109024860","powder diffraction","","0.993773","Synchrotron","","0.0875","","","","","","","","1.675","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104397","8.425","0.0002","35.973","0.0008","9.0586","0.0002","90","","91.942","0.002","90","","2743.84","0.11","80","2","80","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C96 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","1","OG5037","Collet, Eric; Boillot, Marie-Laure; Hebert, Johan; Moisan, Nicolas; Servol, Marina; Lorenc, Maciej; Toupet, Loïc; Buron-Le Cointe, Marylise; Tissot, Antoine; Sainton, Joelle","Polymorphism in the spin-crossover ferric complexes [(TPA)Fe^III^(TCC)]PF~6~","Acta Crystallographica Section B","2009","65","4","474","480","10.1107/S0108768109021508","","","0.71069","MoKα","","0.067","0.0537","","","0.104","0.1093","","","","","","1.196","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104398","8.3086","0.0002","36.1529","0.0008","9.1975","0.0002","90","","90","","90","","2762.74","0.11","80","2","80","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C96 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","1","OG5037","Collet, Eric; Boillot, Marie-Laure; Hebert, Johan; Moisan, Nicolas; Servol, Marina; Lorenc, Maciej; Toupet, Loïc; Buron-Le Cointe, Marylise; Tissot, Antoine; Sainton, Joelle","Polymorphism in the spin-crossover ferric complexes [(TPA)Fe^III^(TCC)]PF~6~","Acta Crystallographica Section B","2009","65","4","474","480","10.1107/S0108768109021508","","","0.71069","MoKα","","0.0709","0.0412","","","0.0629","0.0676","","","","","","0.801","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104399","8.6788","0.0006","37.001","0.002","9.2881","0.0005","90","","91.255","0.002","90","","2981.9","0.3","400","1","400","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C96 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","1","OG5037","Collet, Eric; Boillot, Marie-Laure; Hebert, Johan; Moisan, Nicolas; Servol, Marina; Lorenc, Maciej; Toupet, Loïc; Buron-Le Cointe, Marylise; Tissot, Antoine; Sainton, Joelle","Polymorphism in the spin-crossover ferric complexes [(TPA)Fe^III^(TCC)]PF~6~","Acta Crystallographica Section B","2009","65","4","474","480","10.1107/S0108768109021508","","","0.71069","MoKα","","0.1882","0.0463","","","0.0998","0.1236","","","","","","0.712","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104400","8.561","0.002","37.414","0.009","9.452","0.002","90","","90","","90","","3027.5","1.2","400","2","400","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C96 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","1","OG5037","Collet, Eric; Boillot, Marie-Laure; Hebert, Johan; Moisan, Nicolas; Servol, Marina; Lorenc, Maciej; Toupet, Loïc; Buron-Le Cointe, Marylise; Tissot, Antoine; Sainton, Joelle","Polymorphism in the spin-crossover ferric complexes [(TPA)Fe^III^(TCC)]PF~6~","Acta Crystallographica Section B","2009","65","4","474","480","10.1107/S0108768109021508","","","0.71069","MoKα","","0.186","0.0374","","","0.0843","0.1003","","","","","","0.529","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104401","8.1883","0.0004","10.6394","0.0005","20.4761","0.001","90","","90","","99.37","0.002","1760.05","0.15","300","2","150","2","","","","","","","","4","P 1 1 21","P 2c","4","Benzocaine","ethyl 4-aminobenzoate","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","4","SO5027","Chan, Eric J.; Rae, A. David; Welberry, T. Richard","On the polymorphism of benzocaine; a low-temperature structural phase transition for form (II)","Acta Crystallographica Section B","2009","65","4","509","515","10.1107/S0108768109018898","","","0.71069","MoKα","","0.115","0.065","","","0.091","0.098","","","","","","2.103","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104402","8.257","0.0007","5.5009","0.0004","19.956","0.002","90","","91.699","0.004","90","","906.02","0.14","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzocaine","ethyl 4-aminobenzoate","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","SO5027","Chan, Eric J.; Rae, A. David; Welberry, T. Richard","On the polymorphism of benzocaine; a low-temperature structural phase transition for form (II)","Acta Crystallographica Section B","2009","65","4","509","515","10.1107/S0108768109018898","","","0.71073","MoKα","","0.0668","0.0405","","","0.1021","0.1221","","","","","","1.013","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104403","8.2424","0.0004","5.3111","0.0003","20.9044","0.0012","90","","90","","90","","915.12","0.09","300","2","300","2","","","","","","","","4","P 21 21 21","P_2n_2a","","benzocaine","ethyl 4-aminobenzoate","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","SO5027","Chan, Eric J.; Rae, A. David; Welberry, T. Richard","On the polymorphism of benzocaine; a low-temperature structural phase transition for form (II)","Acta Crystallographica Section B","2009","65","4","509","515","10.1107/S0108768109018898","","","0.71069","MoKα","","0.0495","0.0392","","","0.1035","0.1122","","","","","","1.059","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104404","19.985","","5.632","","8.634","","90","","101.02","","90","","953.885","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Bi16 Mo6 O42 -","- Bi16 Mo6 -","- Bi16 Mo6 -","1","0.5","WH5006","Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia","Structural elucidation of the Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy","Acta Crystallographica Section B","2009","65","4","458","466","10.1107/S0108768109023908","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104405","23.7282","","5.6491","","8.6817","","90","","95.87","","90","","1157.62","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Bi10 Mo3 O24 -","- Bi10 Mo3 -","- Bi20 Mo6 -","2","0.5","WH5006","Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia","Structural elucidation of the Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy","Acta Crystallographica Section B","2009","65","4","458","466","10.1107/S0108768109023908","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104406","14.53","","5.648","","8.662","","90","","97.979","","90","","703.969","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Bi12 Mo4 O30 -","- Bi12 Mo4 -","- Bi12 Mo4 -","1","0.5","WH5006","Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia","Structural elucidation of the Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy","Acta Crystallographica Section B","2009","65","4","458","466","10.1107/S0108768109023908","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104407","34.476","","5.6414","","8.6433","","90","","99.69","","90","","1657.08","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Bi14 Mo5 O36 -","- Bi14 Mo5 -","- Bi28 Mo10 -","2","0.5","WH5006","Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia","Structural elucidation of the Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy","Acta Crystallographica Section B","2009","65","4","458","466","10.1107/S0108768109023908","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104408","17.2117","0.0008","8.4275","0.0004","12.5984","0.0006","90","","94.644","0.001","90","","1821.42","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(aqua)bis(4-cyanopyridine)nickel(II) sulphate.H~2~O","","- C12 H16 N4 Ni O8 S -","- C12 H16 N4 Ni O8 S -","- C48 H64 N16 Ni4 O32 S4 -","4","1","ZB5003","Das, Birinchi K.; Bora, Sanchay J.; Bhattacharyya, Manjit K.; Barman, Rama K.","Inverse bilayer structure of mononuclear Co^II^ and Ni^II^ complexes of the type <i>M</i>(H~2~O)~3~(SO~4~)(4-CNpy)~2~","Acta Crystallographica Section B","2009","65","4","467","473","10.1107/S0108768109021090","","","0.71073","MoKα","","0.0318","0.0247","","","0.0618","0.0644","","","","","","1.03","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104409","17.1467","0.0003","8.3504","0.0001","12.5644","0.0002","90","","94.509","0.001","90","","1793.43","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(aqua)bis(4-cyanopyridine)cobalt(II) sulphate.H~2~O","","- C12 H16 Co N4 O8 S -","- C12 H16 Co N4 O8 S -","- C48 H64 Co4 N16 O32 S4 -","4","1","ZB5003","Das, Birinchi K.; Bora, Sanchay J.; Bhattacharyya, Manjit K.; Barman, Rama K.","Inverse bilayer structure of mononuclear Co^II^ and Ni^II^ complexes of the type <i>M</i>(H~2~O)~3~(SO~4~)(4-CNpy)~2~","Acta Crystallographica Section B","2009","65","4","467","473","10.1107/S0108768109021090","","","0.71073","MoKα","","0.0321","0.0263","","","0.069","0.0722","","","","","","1.034","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104410","6.86744","0.00003","8.75087","0.00004","7.26091","0.00003","90","","90","","90","","436.352","0.003","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Strontium diformate","Strontium diformate","","- C2 H2 O4 Sr -","- C2 H2 O4 Sr -","- C8 H8 O16 Sr4 -","4","1","ZB5005","Ståhl, Kenny; Andersen, Jens E. T.; Shim, Irene; Christgau, Stephan","Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study","Acta Crystallographica Section B","2009","65","4","481","487","10.1107/S0108768109023489","powder diffraction","","1.28406","synchrotron","","","","","","","","","","5.43","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104411","7.13577","0.00017","7.13577","0.00017","9.5908","0.0003","90","","90","","90","","488.36","0.02","334","2","334","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Strontium diformate","Strontium diformate","","- C2 H2 O4 Sr -","- C2 H2 O4 Sr -","- C8 H8 O16 Sr4 -","4","0.5","ZB5005","Ståhl, Kenny; Andersen, Jens E. T.; Shim, Irene; Christgau, Stephan","Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study","Acta Crystallographica Section B","2009","65","4","481","487","10.1107/S0108768109023489","powder diffraction","","1.28406","synchrotron","","","","","","","","","","12.96","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104412","7.09951","0.00007","7.09951","0.00007","10.04048","0.00013","90","","90","","90","","506.071","0.01","540","2","540","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Strontium diformate","Strontium diformate","","- C2 H2 O4 Sr -","- C2 H2 O4 Sr -","- C8 H8 O16 Sr4 -","4","0.5","ZB5005","Ståhl, Kenny; Andersen, Jens E. T.; Shim, Irene; Christgau, Stephan","Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study","Acta Crystallographica Section B","2009","65","4","481","487","10.1107/S0108768109023489","powder diffraction","","1.28406","synchrotron","","","","","","","","","","6.86","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104413","7.09042","0.0001","7.09042","0.0001","10.16973","0.00015","90","","90","","90","","511.274","0.013","605","2","605","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","Strontium diformate","Strontium diformate","","- C2 H2 O4 Sr -","- C2 H2 O4 Sr -","- C8 H8 O16 Sr4 -","4","0.125","ZB5005","Ståhl, Kenny; Andersen, Jens E. T.; Shim, Irene; Christgau, Stephan","Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study","Acta Crystallographica Section B","2009","65","4","481","487","10.1107/S0108768109023489","powder diffraction","","1.28406","synchrotron","","","","","","","","","","8.1","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104414","10.59801","0.0001","9.81628","0.00009","10.00739","0.00008","90","","90","","90","","1041.1","0.016","105","2","105","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Strontium fumarate","Strontium fumarate","","- C4 H2 O4 Sr -","- C4 H2 O4 Sr -","- C32 H16 O32 Sr8 -","8","0.25","ZB5005","Ståhl, Kenny; Andersen, Jens E. T.; Shim, Irene; Christgau, Stephan","Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study","Acta Crystallographica Section B","2009","65","4","481","487","10.1107/S0108768109023489","powder diffraction","","1.25176","synchrotron","","","","","","","","","","7.4","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104415","7.24689","0.00005","7.24689","0.00005","10.01133","0.00007","90","","90","","90","","525.769","0.006","293","2","293","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","Strontium diformate","Strontium diformate","","- C4 H2 O4 Sr -","- C4 H2 O4 Sr -","- C16 H8 O16 Sr4 -","4","0.125","ZB5005","Ståhl, Kenny; Andersen, Jens E. T.; Shim, Irene; Christgau, Stephan","Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study","Acta Crystallographica Section B","2009","65","4","481","487","10.1107/S0108768109023489","powder diffraction","","1.25176","synchrotron","","","","","","","","","","9.22","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104416","14.9411","0.0016","16.0362","0.0017","19.3","0.002","85.025","0.002","67.63","0.002","74.968","0.002","4129.6","0.8","120","2","120","2","","","","","","","","3","P -1","-P 1","2","Cesium disulfate","Dicaesium disulfate'","","- Cs2 O7 S2 -","- Cs2 O7 S2 -","- Cs40 O140 S40 -","20","10","BP5020","Ståhl, Kenny; Berg, Rolf W.; Eriksen, K. Michael; Fehrmann, Rasmus","Structure of caesium disulfate at 120 and 273K","Acta Crystallographica Section B","2009","65","5","551","557","10.1107/S0108768109029334","","","0.71073","MoKα","","0.0657","0.051","","","0.1083","0.1152","","","","","","1.064","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104417","7.5229","0.0005","15.9592","0.001","19.4841","0.0012","85.31","0.001","67.288","0.001","77.775","0.001","2108.9","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","Cesium disulfate","Dicesium disulfate","","- Cs2 O7 S2 -","- Cs2 O7 S2 -","- Cs20 O70 S20 -","10","5","BP5020","Ståhl, Kenny; Berg, Rolf W.; Eriksen, K. Michael; Fehrmann, Rasmus","Structure of caesium disulfate at 120 and 273K","Acta Crystallographica Section B","2009","65","5","551","557","10.1107/S0108768109029334","","","0.71073","MoKα","","0.0923","0.0672","","","0.1511","0.1636","","","","","","1.071","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104418","5.804","0.0001","5.814","0.0001","10.179","0.0001","90","","90.09","0.08","90","","343.484","0.009","","","293","","","","","","","","","3","P21/m(\a0\g)00","","","Cerium gold diarsenide","","","- As2 Au Ce -","- As2 Au0.9858 Ce -","- As8 Au3.9432 Ce4 -","4","","CK5035","Rutzinger, D.; Doert, Th.; Ruck, M.","Incommensurately modulated lanthanide coinage-metal diarsenides. I. CeAu~1{-~δ}As~2~ [δ = 0.015(2)] ‒ a new distortion variant of the HfCuSi~2~ type with irregularly stacked <i>cis</i>‒<i>trans</i> chains of arsenic atoms","Acta Crystallographica Section B","2009","65","5","519","526","10.1107/S0108768109026986","","","0.71073","MoKα","","0.0984","0.0342","","","0.0364","0.0395","","","","","","1.25","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104419","3.9041","0.0008","3.9015","0.0008","9.908","0.002","90","","90.05","0.03","90","","150.92","0.05","293","1","293","","","","","","","","","3","P21/m(\a0\g)00","","","Gadulinium copper arsenide","","","- As2 Cu Gd -","- As2 Cu Gd -","- As4 Cu2 Gd2 -","2","","CK5036","Rutzinger, D.; Bartsch, C.; Doert, Th.; Ruck, M.","Incommensurately modulated lanthanide coinage-metal diarsenides. II. GdCuAs~2~, GdAu~1{-~δ}As~2~ and TbAu~1{-~δ}As~2~ ‒ new distortion variants of the HfCuSi~2~ type with irregularly stacked zigzag chains of arsenic atoms","Acta Crystallographica Section B","2009","65","5","527","534","10.1107/S0108768109029565","","","0.71073","MoKα","","0.1038","0.0392","","","0.0362","0.0391","","","","","","1.24","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104420","3.957","0.0008","4.06","0.002","10.135","0.002","90","","90.01","0.03","90","","162.82","0.09","293","1","293","","","","","","","","","3","P21/m(\a0\g)00","","","Gadolinium gold arsenide","","","- As2 Au0.973 Gd -","- As2 Au0.973 Gd -","- As4 Au1.946 Gd2 -","2","","CK5036","Rutzinger, D.; Bartsch, C.; Doert, Th.; Ruck, M.","Incommensurately modulated lanthanide coinage-metal diarsenides. II. GdCuAs~2~, GdAu~1{-~δ}As~2~ and TbAu~1{-~δ}As~2~ ‒ new distortion variants of the HfCuSi~2~ type with irregularly stacked zigzag chains of arsenic atoms","Acta Crystallographica Section B","2009","65","5","527","534","10.1107/S0108768109029565","","","0.71073","MoKα","","0.0678","0.0456","","","0.0493","0.0504","","","","","","2.37","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104421","3.933","0.002","4.0891","0.0015","10.135","0.0014","90","","90","0.3","90","","163","0.1","293","1","293","","","","","","","","","3","P21/m(\a0\g)00","","","Terbium gold arsenide","","","- As2 Au0.966 Tb -","- As2 Au0.968 Tb -","- As4 Au1.936 Tb2 -","2","","CK5036","Rutzinger, D.; Bartsch, C.; Doert, Th.; Ruck, M.","Incommensurately modulated lanthanide coinage-metal diarsenides. II. GdCuAs~2~, GdAu~1{-~δ}As~2~ and TbAu~1{-~δ}As~2~ ‒ new distortion variants of the HfCuSi~2~ type with irregularly stacked zigzag chains of arsenic atoms","Acta Crystallographica Section B","2009","65","5","527","534","10.1107/S0108768109029565","","","0.71073","MoKα","","0.0879","0.0555","","","0.064","0.0655","","","","","","2.96","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104422","5.007","0.002","8.599","0.002","8.2202","0.0016","90","","91.57","0.02","90","","353.79","0.18","294","","293","","","","","","","","","2","Cc(\a0\g)0","","","tridymite","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","","CK5037","Graetsch, Heribert A.","Modulated crystal structure of incommensurate low tridymite","Acta Crystallographica Section B","2009","65","5","543","550","10.1107/S0108768109029127","","","0.71073","MoKα","","0.0755","0.0303","","","0.0295","0.0359","","","","","","0.99","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104423","15.7016","0.0004","13.4512","0.0004","26.8147","0.0007","90","","92.436","0.002","90","","5658.3","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Cl2 F24 N10 O3 P4 Ru2 -","- C40 H42 Cl2 F24 N10 O3 P4 Ru2 -","- C160 H168 Cl8 F96 N40 O12 P16 Ru8 -","4","1","CK5038","Cormary, Benoît; Malfant, Isabelle; Buron-Le Cointe, Marylize; Toupet, Loïc; Delley, Bernard; Schaniel, Dominik; Mockus, Nicholas; Woike, Theo; Fejfarová, Karla; Petříček, Václav; Dušek, Michal","[Ru(py)~4~Cl(NO)](PF~6~)~2~·0.5H~2~O: a model system for structural determination and <i>ab initio</i> calculations of photo-induced linkage NO isomers","Acta Crystallographica Section B","2009","65","5","612","623","10.1107/S0108768109027207","","","0.71069","MoKα","","0.0642","0.0309","","","0.0299","0.0315","","","","","","1.22","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104424","15.7224","0.0004","13.3917","0.0004","26.7648","0.0007","90","","92.603","0.002","90","","5629.5","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Cl2 F24 N10 O3 P4 Ru2 -","- C40 H42 Cl2 F24 N10 O3 P4 Ru2 -","- C160 H168 Cl8 F96 N40 O12 P16 Ru8 -","4","1","CK5038","Cormary, Benoît; Malfant, Isabelle; Buron-Le Cointe, Marylize; Toupet, Loïc; Delley, Bernard; Schaniel, Dominik; Mockus, Nicholas; Woike, Theo; Fejfarová, Karla; Petříček, Václav; Dušek, Michal","[Ru(py)~4~Cl(NO)](PF~6~)~2~·0.5H~2~O: a model system for structural determination and <i>ab initio</i> calculations of photo-induced linkage NO isomers","Acta Crystallographica Section B","2009","65","5","612","623","10.1107/S0108768109027207","","","0.71069","MoKα","","0.0688","0.0288","","","0.0258","0.027","","","","","","1.1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104425","15.7444","0.0007","13.4456","0.0007","26.841","0.001","90","","92.195","0.004","90","","5677.9","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Cl2 F24 N10 O3 P4 Ru2 -","- C40 H42 Cl2 F24 N10 O3 P4 Ru2 -","- C160 H168 Cl8 F96 N40 O12 P16 Ru8 -","4","1","CK5038","Cormary, Benoît; Malfant, Isabelle; Buron-Le Cointe, Marylize; Toupet, Loïc; Delley, Bernard; Schaniel, Dominik; Mockus, Nicholas; Woike, Theo; Fejfarová, Karla; Petříček, Václav; Dušek, Michal","[Ru(py)~4~Cl(NO)](PF~6~)~2~·0.5H~2~O: a model system for structural determination and <i>ab initio</i> calculations of photo-induced linkage NO isomers","Acta Crystallographica Section B","2009","65","5","612","623","10.1107/S0108768109027207","","","0.71069","MoKα","","0.1459","0.035","","","0.0275","0.0305","","","","","","0.55","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104426","11.00713","0.00011","11.40018","0.00011","3.94377","0.00004","90","","90","","90","","494.877","0.009","293","1","293","1","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- La2 O5 Ti -","- La2 O5 Ti -","- La8 O20 Ti4 -","4","0.5","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.764","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104427","11.04452","0.00011","11.2842","0.00011","3.96519","0.00004","90","","90","","90","","494.176","0.009","293","1","293","1","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ga0.2 La2 O4.9 Ti0.8 -","- Ga0.2 La2 O4.9 Ti0.8 -","- Ga0.8 La8 O19.6 Ti3.2 -","4","0.5","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.719","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104428","11.09937","0.00019","11.14255","0.00017","3.98321","0.00005","90","","90","","90","","492.625","0.013","293","1","293","1","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ga0.5 La2 O4.75 Ti0.5 -","- Ga0.5 La2 O4.75 Ti0.5 -","- Ga2 La8 O19 Ti2 -","4","0.5","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.647","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104429","11.13674","0.00016","11.06383","0.00015","3.98631","0.00005","90","","90","","90","","491.173","0.011","293","1","293","1","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ga0.7 La2 O4.65 Ti0.3 -","- Ga0.7 La2 O4.65 Ti0.3 -","- Ga2.8 La8 O18.6 Ti1.2 -","4","0.5","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.862","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104430","11.17394","0.00016","10.99713","0.00014","3.98992","0.00005","90","","90","","90","","490.286","0.011","293","1","293","1","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ga0.9 La2 O4.55 Ti0.1 -","- Ga0.9 La2 O4.55 Ti0.1 -","- Ga3.6 La8 O18.2 Ti0.4 -","4","0.5","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.926","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104431","7.98014","0.00009","11.19613","0.00014","11.64676","0.00014","90","","109.531","0.0009","90","","980.72","0.02","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga1.9 La4 O9.05 Ti0.1 -","- Ga1.9 La4 O9.05 Ti0.1 -","- Ga7.6 La16 O36.2 Ti0.4 -","4","1","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.629","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104432","7.98082","0.00007","11.2025","0.00011","11.62961","0.00011","90","","109.487","0.0007","90","","980.185","0.016","293","1","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ga2 La4 O9 -","- Ga2 La4 O9 -","- Ga8 La16 O36 -","4","1","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.442","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104433","10.44304","0.00001","10.44304","0.00001","6.343439","0.000005","90","","90","","120","","599.114","","","","10","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca Mn7 O12 -","- Ca3 Mn21 O36 -","3","","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104434","10.44286","0.00001","10.44286","0.00001","6.343505","0.000006","90","","90","","120","","599.099","","","","20","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104435","10.44282","0.00001","10.44282","0.00001","6.343687","0.000006","90","","90","","120","","599.112","0.001","","","30","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104436","10.44283","0.00001","10.44283","0.00001","6.343952","0.000007","90","","90","","120","","599.138","0.001","","","45","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104437","10.44288","0.00001","10.44288","0.00001","6.343851","0.000007","90","","90","","120","","599.134","0.001","","","50","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104438","10.44363","0.00001","10.44363","0.00001","6.34354","0.000007","90","","90","","120","","599.191","0.001","","","70","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104439","10.44465","0.00001","10.44465","0.00001","6.342964","0.000007","90","","90","","120","","599.254","","","","90","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104440","10.44524","0.00001","10.44524","0.00001","6.342824","0.000009","90","","90","","120","","599.308","","","","100","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104441","10.44795","0.00001","10.44795","0.00001","6.342217","0.000008","90","","90","","120","","599.562","","","","150","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104442","10.44986","0.00001","10.44986","0.00001","6.341964","0.000007","90","","90","","120","","599.757","","","","180","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104443","10.45198","0.00001","10.45198","0.00001","6.341717","0.000008","90","","90","","120","","599.977","0.0011","","","210","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104444","10.45516","0.00001","10.45516","0.00001","6.34126","0.000007","90","","90","","120","","600.299","","","","250","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","1","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104445","10.45792","0.00001","10.45792","0.00001","6.341941","0.000007","90","","90","","120","","600.68","0.001","","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","1","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104446","14.697","0.0009","9.036","0.002","7.4677","0.0007","90","","90.224","0.001","90","","991.7","0.2","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Al2.667 Eu3 N21.333 O1.667 Si13.333 -","- Al2.667 Eu3 N21.3332 O1.6668 Si13.3332 -","- Al5.334 Eu6 N42.6664 O3.3336 Si26.6664 -","2","1","SN5084","Michiue, Yuichi; Shioi, Kousuke; Hirosaki, Naoto; Takeda, Takashi; Xie, Rong-Jun; Sato, Akira; Onoda, Mitsuko; Matsushita, Yoshitaka","Eu~3~Si~15{-~<i>x</i>}Al~1+<i>x~</i>O~<i>x~</i>N~23{-~<i>x</i>} (<i>x</i> ≃5/3) as a commensurate composite crystal","Acta Crystallographica Section B","2009","65","5","567","575","10.1107/S0108768109030419","","","0.71069","MoKα","","0.0573","0.0534","","","0.1134","0.1148","","","","","","2.15","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104447","4.899","0.0003","9.036","0.002","7.4677","0.0007","90","","90","","90","","330.58","0.08","","","295","","","","","","","","","5","Pm21n(\a00)000","","","","","","- Al1.778 Eu2 N14.222 O1.111 Si8.889 -","- Al4.6676 Eu4 N9.7776 O2.2224 Si23.33 -","- Al4.6676 Eu4 N9.7776 O2.2224 Si23.33 -","1","","SN5084","Michiue, Yuichi; Shioi, Kousuke; Hirosaki, Naoto; Takeda, Takashi; Xie, Rong-Jun; Sato, Akira; Onoda, Mitsuko; Matsushita, Yoshitaka","Eu~3~Si~15{-~<i>x</i>}Al~1+<i>x~</i>O~<i>x~</i>N~23{-~<i>x</i>} (<i>x</i> ≃5/3) as a commensurate composite crystal","Acta Crystallographica Section B","2009","65","5","567","575","10.1107/S0108768109030419","","","0.71069","MoKα","","0.0587","0.0549","","","0.1176","0.119","","","","","","2.23","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104448","4.11899","0.00001","14.4626","0.00006","5.81151","0.00003","90","","90","","90","","346.199","0.002","10","","10","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mg -","- Ba F4 Mg -","- Ba4 F16 Mg4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","powder diffraction","","0.3995","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104449","4.19057","0.00002","14.51281","0.00006","5.83568","0.00003","90","","90","","90","","354.908","0.003","10","","10","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","powder diffraction","","0.3995","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104450","4.198431","0.000014","15.0557","0.00006","6.0003","0.00003","90","","90","","90.0849","0.0002","379.28","0.003","10","","10","","","","","","","","","3","X21(000)0","","","","","","- Ba F4 Mn -","","","4","","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","powder diffraction","","0.3995","synchrotron","","0.0577","0.0501","","","0.3871","0.3872","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104451","4.12743","0.00001","14.51455","0.00006","5.82028","0.00003","90","","90","","90","","348.68","0.002","250","","250","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mg -","- Ba F4 Mg -","- Ba4 F16 Mg4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.0197","0.0196","","","0.0263","0.0263","","","","","","2.51","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104452","4.12398","0.00002","14.50096","0.00006","5.81748","0.00003","90","","90","","90","","347.895","0.003","200","","200","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mg -","- Ba F4 Mg -","- Ba4 F16 Mg4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.0172","0.0171","","","0.027","0.027","","","","","","2.56","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104453","4.12099","0.00001","14.48798","0.00006","5.81496","0.00003","90","","90","","90","","347.181","0.002","150","","150","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mg -","- Ba F4 Mg -","- Ba4 F16 Mg4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.011","0.0108","","","0.0168","0.0169","","","","","","1.58","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104454","4.11886","0.00002","14.4761","0.0001","5.81296","0.00004","90","","90","","90","","346.598","0.004","100","","100","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mg -","- Ba F4 Mg -","- Ba4 F16 Mg4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.012","0.0118","","","0.0168","0.0169","","","","","","1.6","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104455","4.20369","0.00002","14.57275","0.00007","5.84817","0.00003","90","","90","","90","","358.255","0.003","290","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","Synchrotron","","0.071","0.0621","","","0.0581","0.059","","","","","","3.54","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104456","4.19684","0.00003","14.55067","0.00011","5.84241","0.00004","90","","90","","90","","356.777","0.004","200","","200","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","Synchrotron","","0.0648","0.0612","","","0.0688","0.0689","","","","","","4.99","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104457","4.1935","0.00002","14.53894","0.00007","5.83952","0.00003","90","","90","","90","","356.03","0.003","","","150","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","Synchrotron","","0.0628","0.0593","","","0.0661","0.0663","","","","","","4.18","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104458","4.1911","0.00002","14.52846","0.00008","5.83737","0.00003","90","","90","","90","","355.439","0.003","100","","100","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","Synchrotron","","0.0383","0.0366","","","0.0404","0.0405","","","","","","3.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104459","4.19029","0.00002","14.51842","0.00007","5.83613","0.00003","90","","90","","90","","355.049","0.003","50","","50","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.0203","0.0194","","","0.0267","0.0268","","","","","","1.94","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104460","4.19057","0.00002","14.51281","0.000006","5.83568","0.00003","90","","90","","90","","354.912","0.002","10","","10","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.0224","0.0219","","","0.0284","0.0285","","","","","","1.87","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104461","4.220243","0.000013","15.1002","0.00005","6.00012","0.00002","90","","90","","90","","382.367","0.002","255","","255","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mn -","- Ba F4 Mn -","- Ba4 F16 Mn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","synchrotron","","0.0399","0.0396","","","0.0544","0.0545","","","","","","4.54","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104462","4.218739","0.000013","15.0985","0.00005","6.0007","0.00002","90","","90","","90","","382.224","0.002","245","","245","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mn -","- Ba F4 Mn -","- Ba4 F16 Mn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","synchrotron","","0.0477","0.0467","","","0.0543","0.0543","","","","","","3.92","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104463","4.20914","0.00013","15.0845","0.00005","6.00165","0.00002","90","","90","","90.051","0.002","381.061","0.012","175","","0","","","","","","","","","3","X21(1/21/2\g)0","","","","","","- Ba F4 Mn -","","","4","","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","synchrotron","","0.1011","0.0581","","","0.0477","0.0524","","","","","","1.61","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104464","4.201896","0.000013","15.06749","0.00006","6.00091","0.00002","90","","90","","90.0724","0.0002","379.929","0.002","100","","100","","","","","","","","","3","X21(1/21/2\g)0","","","","","","- Ba F4 Mn -","","","4","","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","synchrotron","","0.0606","0.045","","","0.0407","0.0426","","","","","","1.63","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104465","4.198482","0.000013","15.0572","0.0001","6.00025","0.00002","90","","90","","90.0843","0.0002","379.32","0.003","35","","35","","","","","","","","","3","X21(1/21/2\g)0","","","","","","- Ba F4 Mn -","","","4","","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.0508","0.0473","","","0.065","0.0653","","","","","","2.51","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104466","4.198368","0.000014","15.0556","0.0001","6.00025","0.00002","90","","90","","90.0853","0.0002","379.269","0.003","10","","10","","","","","","","","","3","X21(1/21/2\g)0","","","","","","- Ba F4 Mn -","","","4","","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.0485","0.0416","","","0.0488","0.0496","","","","","","1.76","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104467","34.9145","0.0013","7.9369","0.0002","15.915","0.0007","90","","103.551","0.003","90","","4287.5","0.3","298","","298","","","","","","","","","3","C2/c(0\b0)s0","","","","","","- Ga6 O19 Sr10 -","- Ga6 O19 Sr10 -","- Ga48 O152 Sr80 -","8","","SN5086","Krüger, Hannes; Lazić, Biljana; Arroyabe, Erik; Kahlenberg, Volker","Modulated structure and phase transitions of Sr~10~Ga~6~O~19~","Acta Crystallographica Section B","2009","65","5","587","592","10.1107/S0108768109026974","","","0.71073","MoKα","","0.1383","0.084","","","0.0677","0.0734","","","","","","2.65","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104468","35.0481","0.0018","7.9732","0.0004","16.0077","0.0008","90","","103.492","0.001","90","","4349.8","0.4","673","","673","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga6 O19 Sr10 -","- Ga6 O19 Sr10 -","- Ga48 O152 Sr80 -","8","1","SN5086","Krüger, Hannes; Lazić, Biljana; Arroyabe, Erik; Kahlenberg, Volker","Modulated structure and phase transitions of Sr~10~Ga~6~O~19~","Acta Crystallographica Section B","2009","65","5","587","592","10.1107/S0108768109026974","","","0.71073","MoKα","","0.0766","0.0552","","","0.0481","0.0512","","","","","","2.47","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104469","4.066","0.0004","23.305","0.003","17.13","0.002","90","","90","","90","","1623.2","0.3","293","1","293","1","","","","","","","","3","P m n m :2","-P 2c 2a","59","","","","- Bi6.889 Br4.778 Ni2 -","- Bi3.443 Br2.4221 Ni -","- Bi13.772 Br9.6884 Ni4 -","4","0.5","SN5087","Wahl, B.; Ruck, M.","Superspace description of the modulated structure of the metal-salt-hybrid Bi~7{-~δ}Ni~2~Br~5{-~2δ} (δ = 1/9)","Acta Crystallographica Section B","2009","65","5","593","599","10.1107/S0108768109029760","","","0.71073","MoKα","","0.0882","0.0596","","","0.0839","0.0853","","","","","","6.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104470","4.066","0.0004","46.61","0.005","17.1299","0.0015","90","","90","","90","","3246.4","0.6","293","1","293","1","","","","","","","","3","Xmnm(\a00)00s","","","","","","- Bi6.889 Br4.778 Ni2 -","","","8","","SN5087","Wahl, B.; Ruck, M.","Superspace description of the modulated structure of the metal-salt-hybrid Bi~7{-~δ}Ni~2~Br~5{-~2δ} (δ = 1/9)","Acta Crystallographica Section B","2009","65","5","593","599","10.1107/S0108768109029760","","","0.71073","MoKα","","0.1659","0.0695","","","0.087","0.0899","","","","","","3.18","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104471","4.066","0.0004","23.305","0.003","17.13","0.002","90","","90","","90","","1623.2","0.3","293","1","293","1","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Bi6.889 Br4.778 Ni2 -","- Bi6.883 Br4.82 Ni2 -","- Bi27.532 Br19.28 Ni8 -","4","0.25","SN5087","Wahl, B.; Ruck, M.","Superspace description of the modulated structure of the metal-salt-hybrid Bi~7{-~δ}Ni~2~Br~5{-~2δ} (δ = 1/9)","Acta Crystallographica Section B","2009","65","5","593","599","10.1107/S0108768109029760","","","0.71073","MoKα","","0.0431","0.0394","","","0.0781","0.0781","","","","","","7.85","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104472","13.7958","0.0004","13.7958","0.0004","3.6371","0.0002","90","","90","","90","","692.23","0.05","100","2","100","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C10 H6 Cl6 N2 Zn -","- C10 H6 Cl6 N2 Zn -","- C20 H12 Cl12 N4 Zn2 -","2","0.25","SO5025","Wang, Ruimin; Lehmann, Christian W.; Englert, Ulli","Weak interactions in chain polymers [<i>M</i>(μ-<i>X</i>)~2~<i>L</i>~2~]~{∞~} (<i>M</i> = Zn, Cd; <i>X</i> = Cl, Br; <i>L</i> = substituted pyridine) ‒ an electron density study","Acta Crystallographica Section B","2009","65","5","600","611","10.1107/S0108768109028626","","","0.71073","MoKα","","0.0269","0.0228","","","0.0488","0.0494","","","","","","1.087","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104473","7.7529","0.0001","7.7529","0.0001","7.7529","0.0001","90","","90","","90","","466.007","0.01","100","","100","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- N2 O4 -","- N2 O4 -","- N12 O24 -","6","0.125","SO5026","Tsirelson, Vladimir G.; Shishkina, Anastasia V.; Stash, Adam I.; Parsons, Simon","The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide","Acta Crystallographica Section B","2009","65","5","647","658","10.1107/S0108768109028821","","","0.71073","MoKα","","0.0293","0.0278","","0.0763","0.0752","0.0763","","","","","","1.0277","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104474","7.7529","0.0001","7.7529","0.0001","7.7529","0.0001","90","","90","","90","","466.01","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","?","- N0.5 O2 -","- N3 O12 -","6","0.125","SO5026","Tsirelson, Vladimir G.; Shishkina, Anastasia V.; Stash, Adam I.; Parsons, Simon","The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide","Acta Crystallographica Section B","2009","65","5","647","658","10.1107/S0108768109028821","","","","","","","0.015","","","","0.023","","","","","","1.443","","","","has coordinates","175786","2020-10-21","18:00:00",""
"2104475","21.7356","0.0004","10.0565","0.0002","9.45108","0.00018","90","","99.9602","0.0008","90","","2034.72","0.07","298","1","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 1',2',3',4',4a',5',6',7'-octahydrodispiro[cyclohexane-1,2'- quinazoline-4',1''-cyclohexane]-8'-carbodithioate","","- C21 H34 N2 S2 -","- C21 H34 N2 S2 -","- C84 H136 N8 S8 -","4","1","ZB5006","Ávila, Edward E.; Mora, Asiloé J.; Delgado, Gerzon E.; Contreras, Ricardo R.; Rincón, Luis; Fitch, Andrew N.; Brunelli, Michela","Structure and conformational analysis of a bidentate pro-ligand, C~21~H~34~N~2~S~2~, from powder synchrotron diffraction data and solid-state DFTB calculations","Acta Crystallographica Section B","2009","65","5","639","646","10.1107/S0108768109027244","powder diffraction","","0.80098","synchrotron","","","","","","","","","","2.3","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104476","36.17","0.02","5.031","0.003","17.719","0.01","90","","114.062","0.008","90","","2944","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Di-n-butyl-bis(2-naphthoxyacetato-O,O')-tin(iv)","","- C32 H36 O6 Sn -","- C32 H36 O6 Sn -","- C128 H144 O24 Sn4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104477","10.462","0.002","8.069","0.0016","21.116","0.004","90","","102.84","0.03","90","","1738","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(mu(2)-Selenido)-tetracarbonyl-bis(eta(5)-methyl-cyclopentadienyl)-di-chromium","","- C16 H14 Cr2 O4 Se -","- C16 H14 Cr2 O4 Se -","- C64 H56 Cr8 O16 Se4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104478","36.282","","54.429","","13.198","","90","","90","","90","","26063.3","","298","2","298","2","","","","","","","","7","F d d 2","F 2 -2d","43","","bis(mu(2)-Acetato-O,O')-bis(mu(2)-2-(n-propyliminomethyl)-4-methyl-6- ((bis(pyridin-2-ylmethyl)amino)methylphenolato)-bis(methanol)-tri-nickel(ii) bis(hexafluorophosphate","","- C54 H68 F12 N8 Ni3 O8 P2 -","- C54 H68 F12 N8 Ni3 O8 P2 -","- C864 H1088 F192 N128 Ni48 O128 P32 -","16","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104479","13.085","","13.085","","14.672","0.008","90","","90","","120","","2175.5","1.2","293","2","293","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","tris(N-Ethylphenylamino)phosphine.","","- C24 H30 N3 P -","- C24 H30 N3 P -","- C96 H120 N12 P4 -","4","0.666667","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104480","20.7006","0.0009","9.3584","0.0004","23.7365","0.0011","90","","96.702","0.001","90","","4566.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dicarbonyl-bis(eta(5)-1,3-bis(t-butyl(dimethyl)silyl)indenyl)-zirconium","","- C44 H70 O2 Si4 Zr -","- C44 H70 O2 Si4 Zr -","- C176 H280 O8 Si16 Zr4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104481","13.678","0.003","7.1156","0.0014","9.883","0.002","90","","91.07","0.03","90","","961.7","0.3","","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-((mu(2)-Erythritol)-bis(nitrato-O)-zinc(ii)","","- C4 H10 N2 O10 Zn -","- C4 H10 N2 O10 Zn -","- C16 H40 N8 O40 Zn4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104482","22.457","0.004","23.066","0.006","16.692","0.002","90","","95.99","0.01","90","","8599","3","288.2","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Chloro-hydroxy-(tris(6-(neopentylamino)pyrid-2-ylmethyl)amine-N,N',N'', N''')- ruthenium(iii) trifluoromethanesulfate.","","- C34 H52 Cl F3 N7 O4 Ru S -","- C33 H51 Cl N7 O Ru -","- C264 H408 Cl8 N56 O8 Ru8 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104483","22.365","0.002","14.6279","0.0016","12.1375","0.0013","90","","120.187","0.002","90","","3432.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-bis(5-t-butyl-2-hydroxybenzylidinamino)-1,1'-binaphthyl","","- C42 H40 N2 O2 -","- C42 H40 N2 O2 -","- C168 H160 N8 O8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104484","33.544","0.007","10.027","0.002","28.873","0.006","90","","120.2","0.03","90","","8393","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(1,1-bis((3-n-Butylimidazol-2-ylidene-1-yl)methyl)-1-((3-n-butylimidazolium -1-yl)methyl)ethane-C,C')-(eta(4)-cyclo-octa-1,5-dione)rhodium bis(hexafluoro-phosphate)","","- C34 H55 F12 N6 P2 Rh -","- C31 H48 F12 N6 P2 Rh -","- C248 H384 F96 N48 P16 Rh8 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104485","33.916","","35.276","","9.976","","90","","90","","90","","11935.5","","180","2","180","2","","","","","","","","5","F d d 2","F 2 -2d","43","","(Mu_4-eta^4,eta^4-5-Methylene-7,7-dimethylcyclohepta-1.3-diyne)bis(mu_2-bis- (diphenylphosphine)-methane)-octdacarbonyl-tetra-cobalt","","- C68 H54 Co4 O8 P4 -","- C68 H54 Co4 O8 P4 -","- C544 H432 Co32 O64 P32 -","8","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104486","16.4615","0.0004","10.0537","0.0002","10.9358","0.0003","90","","109.556","0.001","90","","1705.46","0.07","223","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena((mu(2)-1,2-bis(4-pyridyl)disulfide)-bis(acetato-O)-zinc(ii))","","- C14 H14 N2 O4 S2 Zn -","- C14 H8 N2 O4 S2 Zn -","- C56 H32 N8 O16 S8 Zn4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104487","15.869","0.004","11.845","0.003","13.295","0.003","90","","112.972","0.003","90","","2300.9","1","298","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena((mu(2)-4,4'-bipyridyl)-dibenzyl-dichloro-tin(iv))","","- C24 H22 Cl2 N2 Sn -","- C24 H22 Cl2 N2 Sn -","- C96 H88 Cl8 N8 Sn4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104488","17.743","0.002","14.8424","0.0019","9.6445","0.0012","90","","90","","90","","2539.9","0.5","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","Dimethyl-(P,P,P',P')tetraphenylimidodiphosphinato)gallium(ii)","","- C26 H26 Ga N O2 P2 -","- C26 H26 Ga N O2 P2 -","- C104 H104 Ga4 N4 O8 P8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104489","26.593","0.003","8.85","0.001","27.101","0.003","90","","113.669","0.002","90","","5841.6","1.1","294","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dipyridine-(5,10,15,20-tetrakis(pentafluorophenyl)prophyrinato)- ruthenium(ii) tri(dichloromethane) solvate.","","- C57 H24 Cl6 F20 N6 Ru -","- C57 H24 Cl6 F20 N6 Ru -","- C228 H96 Cl24 F80 N24 Ru4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104490","37.556","0.005","3.987","0.005","19.974","0.005","90","0.005","98.22","0.005","90","0.005","2960","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl(Z)-(2-(4-methylphenyl)benzo(d)(1,3)oxazin-4-ylidene)acetate","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C144 H120 N8 O32 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104491","25.892","0.002","7.1634","0.0007","13.0672","0.0013","90","","110.62","0.002","90","","2268.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,3-bis(4-n-Butoxy)phenyl)propane-1,3-dionato-O,O'-difluoro-boron","","- C23 H27 B F2 O4 -","- C23 H27 B F2 O4 -","- C92 H108 B4 F8 O16 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104492","14.701","0.008","10.056","0.006","13.341","0.008","90","","106.69","0.007","90","","1889.2","1.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(4-Amino-3,5-dimethyl-1,2,4-triazole)-bis(isothiocyanato)-zinc(ii).","","- C10 H16 N10 S2 Zn -","- C10 H16 N10 S2 Zn -","- C40 H64 N40 S8 Zn4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104493","35.941","0.008","13.913","0.003","25.759","0.006","90","","116.022","0.004","90","","11575","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Racemic(5aS,6R,11aR)-N-(4-dimethylaminophenyl)-4-(5,7-di-t-butyl-1,3- benzoxazol-2-amino)-2-chloro-6-hydroxy-6,6a,10a,11,11a,12-hexahydro-5aH- benzo(b)xanthene-5a-carboxamide N-3,5-dinitrobenzoyl-L-alanine.","","- C51 H54 Cl N7 O11 -","- C51 H49 Cl N7 O11 -","- C408 H392 Cl8 N56 O88 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104494","11.4639","0.0003","16.6254","0.0007","19.0184","0.0009","90","","102.625","0.002","90","","3537.1","0.2","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(bis(mu(2)-Cyano)-bis(dimethylformamide)-tricyano-nitrosyl-bis(1,10- phenanthroline)-iron(ii)-strontium(ii)","","- C35 H30 Fe N12 O3 Sr -","- C35 H30 Fe N12 O3 Sr -","- C140 H120 Fe4 N48 O12 Sr4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104495","18.8355","0.0003","7.5508","0.0001","15.387","0.0001","90","","97.428","0.001","90","","2170.02","0.05","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N,N'''-bis(6-Methoxysalicylidene)triethylenetetramine)-zinc(ii)","","- C22 H28 N4 O4 Zn -","- C22 H28 N4 O4 Zn -","- C88 H112 N16 O16 Zn4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104496","17.1997","0.0014","12.3844","0.0014","18.0384","0.0013","90","","96.486","0.01","90","","3817.7","0.6","100","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(6,6'-(N, N'-Dibenzyl-N,N'-bis(2-pyridylmethyl)-bis(aminomethyl)-2,2'- bipyridine-iron(ii) bis(hexafluorophosphate).","","- C38 H36 F12 Fe N6 P2 -","- C38 H36 F12 Fe N6 P2 -","- C152 H144 F48 Fe4 N24 P8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104497","27.1505","0.0003","15.5354","0.0009","30.0056","0.0015","90","","111.077","0.003","90","","11809.5","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(mu(5)-Heptacyclohexyl-heptasilsesquioxane)-(bis(trimethylsilyl)amide)- tetra-lithium-ytterbium(iii)","","- C90 H172 Li4 N O24 Si16 Yb -","- C90 H172 Li4 N O24 Si16 Yb -","- C360 H688 Li16 N4 O96 Si64 Yb4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104498","15.717","0.003","9.922","0.002","11.047","0.002","90","","101.348","0.004","90","","1689","0.6","298","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Catena-((mu(2)-4,4'-dipyridyldisulfide)-bis(isothiocyanato)-zinc(II))","","- C12 H8 N4 S4 Zn -","- C12 H8 N4 S4 Zn -","- C48 H32 N16 S16 Zn4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104499","32.0109","0.0008","21.9539","0.0005","37.7303","0.001","90","","111.057","0.001","90","","24744.9","1.1","90","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","10,15,20,25,35,40,45,50-octakis(pentafluorophenyl)-5,30-(1,4-phenylene- (44)decaphyrin dichloromethane n-heptane solvate sesquihydrate","","?","- C112 H46 Cl3 F40 N10 -","- C896 H368 Cl24 F320 N80 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104500","15.751","0.003","9.803","0.0014","18.189","0.004","90","","105.513","0.015","90","","2706.2","0.9","295","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tri-sodium tris(oxydiacetato)-terbium(iii) octahydrate","","- C12 H28 Na3 O23 Tb -","- C12 H28 Na3 O23 Tb -","- C48 H112 Na12 O92 Tb4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2104501","28.0328","0.0005","12.659","0.0004","16.202","0.0004","90","","104.645","0.001","90","","5562.8","0.2","200","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaqua-tetrakis(1-(4-imidazolylbenzyl)imidazole)-zinc(ii) dinitrate pentahydrate","","- C52 H62 N18 O13 Zn -","- C52 H62 N18 O13 Zn -","- C208 H248 N72 O52 Zn4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2104502","12.3652","0.0018","17.649","0.004","14.83","0.002","90","","95.671","0.011","90","","3220.6","1","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena((mu(2)-1,1'-Biphenyl-4,4'-dicarboxylato)-bis(1,10-phenanthroline) cadmium dihydrate)","","- C38 H28 Cd N4 O6 -","- C38 H24 Cd N4 O6 -","- C152 H96 Cd4 N16 O24 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104503","23.244","0.009","11.439","0.004","15.42","0.005","90","","126.11","0.03","90","","3312","2","","","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","s-trans-anti-s-cis-bis(N,N'-bis(6-methyl-2-pyridyl)formamidinato)-bis(nitrato)- cadmium(ii) dichloromethane solvate","","- C27 H30 Cd Cl2 N10 O6 -","- C27 H30 Cd Cl2 N10 O6 -","- C108 H120 Cd4 Cl8 N40 O24 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104504","12.738","0.003","25.57","","20.175","0.003","90","","90","","90","","6571.2","1.8","295","2","","","","","","","","","","6","F d d 2","F 2 -2d","43","","hexakis(dimethylsulfoxide)-calcium diperchlorate","","- C12 H36 Ca Cl2 O14 S6 -","- C12 H36 Ca Cl2 O14 S6 -","- C96 H288 Ca8 Cl16 O112 S48 -","8","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104505","15.243","0.006","10.895","0.005","25.389","0.012","90","","105.5","0.04","90","","4063","3","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-Benzoyl-N',N""-bis(4-methylpiperidine)phosphoric triamide","","- C19 H30 N3 O2 P -","- C19 H30 N3 O2 P -","- C152 H240 N24 O16 P8 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104506","60.457","0.018","16.411","0.006","5.582","0.002","90","","90","","90","","5538","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dimethyl(2-(methylene)-2-(phenylsulfanyl)ethyl)ammonium oxalate","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C208 H272 N16 O64 S16 -","16","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104507","22.0888","0.0014","9.7434","0.0006","16.5776","0.001","90","","113.941","0.001","90","","3260.9","0.3","396","","396","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Chloro-(N,N'-bis(2,6-diisopropylphenyl)imidazole)-gold(i) toluene solvate","","- C34 H44 Au Cl N2 -","- C34 H44 Au Cl N2 -","- C136 H176 Au4 Cl4 N8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104508","29.858","0.002","11.1802","0.0008","17.2993","0.0012","90","","125.186","0.001","90","","4719.7","0.6","293","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetra(5,5-dimethylhydantoinato)aurate","Tri-sodium tetrakis(5,5-dimethylhydantoinato)-gold(iii) 5,5-dimethylhydantoin solvate octahydrate","","- C30 H58 Au N12 Na3 O20 -","- C30 H58 Au N12 Na3 O20 -","- C120 H232 Au4 N48 Na12 O80 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","188927","2020-10-21","18:00:00",""
"2104509","25.765","0.003","7.2986","0.0008","22.733","0.003","90","","107.486","0.004","90","","4077.4","0.9","293","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","7-Hydroxy-7,8,9,10-tetrahydrobenzo(h)coumarin.","","- C13 H12 O3 -","- C13 H12 O3 -","- C208 H192 O48 -","16","2","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104510","20.618","0.013","49.704","","6.265","0.004","90","","90","","90","","6420","6","293","2","","","","","","","","","","3","F d d 2","F 2 -2d","43","oxabridged spirocyclic seven-membered-ring system","5'-phenyl-2'H-spiro[indene-2,6'-[8]oxabicyclo[3.2.1]octane]-1,2'(3H)-dione","","- C21 H18 O3 -","- C21 H18 O3 -","- C336 H288 O48 -","16","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104511","23.472","0.009","15.475","0.004","19.37","0.004","90","","125.82","0.02","90","","5705","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5S)-((4S-n-Butylcarbamoyl-1-ethyl-5-oxopyrrolidin-(3R)-yl)-isobutyl- 2,2-dimethyloxazolidine-3-carboxylic acid t-butyl ester","","- C25 H45 N3 O5 -","- C25 H45 N3 O5 -","- C200 H360 N24 O40 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2104512","8.6495","0.0014","13.614","0.002","21.747","0.003","90","","94.744","0.011","90","","2552","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(bis(2-pyridyl)amine)-bis(dicyanamide)-iron(ii)","","- C24 H18 Fe N12 -","- C24 H18 Fe N12 -","- C96 H72 Fe4 N48 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104513","29.176","0.004","10.4148","0.0015","21.287","0.003","90","","126.162","0.003","90","","5222.2","1.3","294","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tris(1,10-phenanthroline)nickel(ii)bis(N-p-toluenesulfonyltaurine)monohydrate","","- C54 H50 N8 Ni O11 S4 -","- C54 H50 N8 Ni O11 S4 -","- C216 H200 N32 Ni4 O44 S16 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","206183","2020-10-21","18:00:00",""
"2104514","38.553","0.009","6.882","0.002","27.215","0.007","90","","128.14","0.02","90","","5679","3","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-Benzyl-2-(5-(methoxymethyl)-6-oxo-2-phenyl-1,6-dihydropyrimidin-4-yl)- ethanaminium 2,4,6-trinitrophenolate","","- C27 H26 N6 O9 -","- C27 H26 N6 O9 -","- C216 H208 N48 O72 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104515","20.807","0.003","11.012","0.0014","17.781","0.002","90","","94.489","0.002","90","","4061.6","0.9","","","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6,6""-bis(1-(2,6-di-isopropylphenylimino)ethyl)-2,2',6',2""-terpyridine dichloromethane solvate.","","- C44 H51 Cl2 N5 -","- C44 H51 Cl2 N5 -","- C176 H204 Cl8 N20 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104516","19.844","0.0008","10.076","0.0003","15.339","0.0008","90","","112.783","0.002","90","","2827.7","0.2","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-{bis(mu(2)-1,2-bis(4-pyridyl)ethane)-bis(isoselenocyanato)-iron(ii)}","","- C26 H24 Fe N6 Se2 -","- C26 H24 Fe N6 Se2 -","- C104 H96 Fe4 N24 Se8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104517","19.913","0.002","11.876","0.002","16.53","0.003","90","","95.54","0.01","90","","3890.9","1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(Pivaloyltrifluoroacetonato)-hafium(iv)","","- C32 H40 F12 Hf O8 -","- C32 F12 Hf O8 -","- C128 F48 Hf4 O32 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104518","30.274","0.003","8.7941","0.0007","18.1442","0.0015","90","","100.506","0.002","90","","4749.6","0.7","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(mu(2)-3,6,14,17-tetrakis(2-Pyridylmethyl)-3,6,14,17,23,24-hexaazatricyclo- [17.3.1.1](8,12)tetracosane)-tetrakis(nitrato)-di-cobalt(ii) dihydrate","","- C42 H50 Co2 N14 O14 -","- C42 H50 Co2 N14 O14 -","- C168 H200 Co8 N56 O56 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2104519","28.929","0.002","17.9534","0.0014","10.0754","0.0006","90","","104.692","0.004","90","","5061.8","0.6","123","2","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Bi(Tm)2]NO2(?).2.5DMF","bis(hydrogen-tris(3-methyl-2-thioxo-1-imidazolyl)borato-S,S',S'') -bismuth(iii) nitrite(?) N,N-dimethylformamide solvate","","- C31.5 H49.5 B2 Bi N15.5 O4.5 S6 -","- C30 H34 B2 Bi N14 O2 S6 -","- C120 H136 B8 Bi4 N56 O8 S24 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104520","14.577","0.003","15.614","0.003","10.582","0.002","90","","114.79","0.03","90","","2186.6","0.9","293","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tris(Ethylenediamine-N,N')-manganese(ii) 1,5-naphthalenedithiolate monohydrate","","- C16 H32 Mn N6 O S2 -","- C16 H32 Mn N6 O S2 -","- C64 H128 Mn4 N24 O4 S8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104521","14.42","0.003","15.385","0.003","10.535","0.002","90","","113.98","0.03","90","","2135.5","0.9","296","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tris(Ethylenediamine-N,N')-cobalt(ii) 1,5-naphthalenedithiolate monohydrate","","- C16 H32 Co N6 O S2 -","- C16 H32 Co N6 O S2 -","- C64 H128 Co4 N24 O4 S8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104522","14.42","0.003","15.385","0.003","10.535","0.002","90","","113.98","0.03","90","","2135.5","0.9","296","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tris(Ethylenediamine-N,N')-nickel(ii) 1,5-naphthalenedithiolate monohydrate","","- C16 H32 N6 Ni O S2 -","- C16 H32 N6 Ni O S2 -","- C64 H128 N24 Ni4 O4 S8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104523","33.419","0.006","7.5925","0.0011","29.974","0.005","90","","117.898","0.002","90","","6721.5","1.9","173","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(2,6-bis(4-(4-Methoxyphenyl)-1,5-dimethylimidazol-2-yl)pyridine-N,N',N"")- copper(ii)diperchlorate acetonitrile benzene solvate.","","- C66 H68.5 Cl2 Cu N12.5 O12 -","- C62 H64 Cl2 Cu N12 O12 -","- C248 H256 Cl8 Cu4 N48 O48 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104524","25.898","0.003","74.105","0.006","6.853","0.003","90","","90","","90","","13152","6","183","2","","","","","","","","","","2","F d d 2","F 2 -2d","43","","1,3,5-tris(2-(1-adamantyl)ethynyl)benzene","","- C42 H48 -","- C42 H48 -","- C672 H768 -","16","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104525","25.326","0.005","8.8861","0.0018","13.738","0.003","90","","96.95","0.03","90","","3069","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cu2 N4 O8 -","- C34 H26 Cu2 N4 O8 -","- C136 H104 Cu8 N16 O32 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104526","19.514","0.002","16.3891","0.0019","27.727","0.003","90","","101.243","0.002","90","","8697.4","1.6","203","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(3-((5-Ethoxycarbonyl)-2,4-dimethoxyphenylaminocarbonyl)-4,6- diisopropylphenyl)-N,N'-bis(2,4-dimethoxybenzyl)-4,6-bis(isobutoxy)benzene- 1,3-diamide methanol solvate.","","- C88 H118 N4 O24 -","- C88 H118 N4 O24 -","- C352 H472 N16 O96 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104527","23.945","0.004","7.4886","0.0011","24.771","0.004","90","","111.612","0.003","90","","4129.5","1.1","293","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(mu(4)-3,6,10,13-tetrakis(2-Cyanoethyl)-3,6,10-13-tetra-aza- 1,8(2,6)-dipyridinacyclotetradecaphane)-di-silver(1)) diperchlorate acetonitrile solvate).","","- C34 H44 Ag2 Cl2 N12 O8 -","- C34 H38 Ag2 Cl2 N12 O8 -","- C136 H152 Ag8 Cl8 N48 O32 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104528","10.185","0.002","22.944","0.006","10.047","0.002","90","","91.516","0.018","90","","2347","0.9","168","2","168","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(Neopentyloxy)-bis(2-pyridylmethoxy)-titanium","","- C22 H34 N2 O4 Ti -","- C22 H34 N2 O4 Ti -","- C88 H136 N8 O16 Ti4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104529","13.562","0.0012","19.0518","0.0018","29.098","0.002","90","","92.625","0.003","90","","7510.5","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(Tetrapropylammonium)(mu(2)-acetamido-N,O)-(mu(2)-3,5-bis(bis- ((N'-t-butylureaylato)-N-ethyl)aminatomethyl)-1H-pyrazolato)-di-cobalt(ii) N,N-dimethylacetamide solvate.","","- C63 H130 Co2 N16 O6 -","- C59 H120 Co2 N15 O5 -","- C236 H480 Co8 N60 O20 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104530","27.814","0.005","12.76","0.002","15.796","0.003","90","","119.415","0.003","90","","4883.4","1.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(2-Ph-quinolinolate)dioxomolybdenum","cis-bis(2-Phenyl-8-quinolinolato)-dioxo-molybdenum(vi)","","- C30 H20 Mo N2 O4 -","- C30 H20 Mo N2 O4 -","- C240 H160 Mo8 N16 O32 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104531","27.126","0.003","10.8438","0.0011","30.455","0.003","90","","105.053","0.002","90","","8650.9","1.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","25:27,26:28-bis(N,N'-Ethane-1,2-bis(amidoethoxy))calix(4)arene chloroform solvate hydrate.","","- C83 H79 Cl9 N8 O22 -","- C80 H80 Cl9 N8 O18 -","- C320 H320 Cl36 N32 O72 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104532","7.84","0.0005","15.712","0.0013","23.329","0.002","90","","97.966","0.003","90","","2846","0.4","273","","","","","","","","","","synthetic","4","C 1 2/c 1","-C 2yc","15","","(±)-1,2-trans-Di(tri-isopropylsilyloxy)cyclohexane","","- C24 H52 O2 Si2 -","- C24 H52 O2 Si2 -","- C96 H208 O8 Si8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104533","12.129","0.002","12.034","0.002","5.692","0.001","90","","107.05","0.03","90","","794.3","0.3","295","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(Methylamino)-4-(methylimino)-pent-2-ene","","- C7 H14 N2 -","- C7 N2 -","- C28 N8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104534","14.7995","0.0005","16.4658","0.0005","21.5521","0.0007","90","","105.545","0.0008","90","","5059.8","0.3","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(4'-(4-Methylphenyl)-2,2':6'2""-terpyridine-N,N',N"")-iridium tris(hexa- fluorophosphate) acetonitrile solvate.","","- C48 H40 F18 Ir N8 P3 -","- C48 H40 F18 Ir N8 P3 -","- C192 H160 F72 Ir4 N32 P12 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2104535","12.44","0.003","9.2702","0.0019","14.065","0.003","90","","90.42","0.03","90","","1622","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(acetato-O)-bis-1,3-imidazolidine-2-thione-S)-cadmium(ii)","","- C10 H18 Cd N4 O4 S2 -","- C10 H18 Cd N4 O4 S2 -","- C40 H72 Cd4 N16 O16 S8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104536","17.6928","0.0008","17.7186","0.0008","16.7094","0.0007","90","","99.431","0.001","90","","5167.5","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(1,3-bis(2,6-Isopropylphenyl)-4,5-dihydro-2-ylidene-copper(ii) hexafluorophosphate","","- C54 H76 Cu F6 N4 P -","- C54 H76 Cu F6 N4 P -","- C216 H304 Cu4 F24 N16 P4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104537","12.188","0.002","20.503","0.002","9.154","0.002","90","","116.97","0.03","90","","2038.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N,N'-bis(1-Benzylisopropylidene)propane-1,3-diamine-copper(ii)","","- C23 H24 Cu N2 O2 -","- C23 H24 Cu N2 O2 -","- C92 H96 Cu4 N8 O8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104538","27.598","0.004","6.2826","0.0008","23.002","0.003","90","","103.652","0.003","90","","3875.6","0.9","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Allyl-3-methyl-2-phenyl-5-(phenylthio)-1,2,3,4-tetrahydropyrimido(4,5-d) pyrimidine","","- C22 H22 N4 S -","- C22 H22 N4 S -","- C176 H176 N32 S8 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104539","15.171","","14.962","","10.068","","90","","94.1","","90","","2279.47","","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Sodium (1,4,7,10-tetraacetato-1,4,7,10-tetra-azacyclododecane-N,N',N"",N'"",O,O') gallium(iii) pentahydrate","","- C16 H34 Ga N4 Na O13 -","- C16 H34 Ga N4 Na O13 -","- C64 H136 Ga4 N16 Na4 O52 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2104540","27.675","0.004","10.3601","0.0015","15.082","0.002","90","","110.954","0.002","90","","4038.3","1","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(mu(2)-phthalato-tetraaqua-bis[3,2-f2'3'-h]quinoxaline)di-nickel dihydrate","","- C44 H36 N8 Ni2 O14 -","- C44 H36 N8 Ni2 O14 -","- C176 H144 N32 Ni8 O56 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104541","16.0645","0.0015","10.2243","0.001","21.086","0.002","90","","104.469","0.001","90","","3353.5","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(1,1'-bis(t-butyl(dimethyl)silylamido)ferrocene)-methyl-bis(tetrahydrofuran)- scandium","","- C31 H57 Fe N2 O2 Sc Si2 -","- C31 H57 Fe N2 O2 Sc Si2 -","- C124 H228 Fe4 N8 O8 Sc4 Si8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104542","21.8163","0.0002","8.9653","0.0001","23.2716","0.0002","90","","104.718","0.001","90","","4402.33","0.08","102","2","102","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,4-bis(1'-carboxy-2'-methylprop-2'-yl)benzene","","- C16 H22 O4 -","- C16 H22 O4 -","- C192 H264 O48 -","12","1.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104543","22.744","0.004","7.138","0.002","21.509","0.004","90","","120.197","0.004","90","","3018.1","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(mu(2)-5-Nitroisophthalato-O,O')-aqua-hexamethyl-di-tin(iv) 1,10-phenanthroline","","- C26 H31 N3 O7 Sn2 -","- C26 H31 N3 O7 Sn2 -","- C104 H124 N12 O28 Sn8 -","4","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104544","15.16","0.002","4.8871","0.0005","21.788","0.003","90","","98.02","0.01","90","","1598.5","0.3","298","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Beta-naphthaflavone 4'-propargyl ether","","- C22 H14 O3 -","- C22 H14 O3 -","- C88 H56 O12 -","4","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7093","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104545","8.274","0.0002","8.839","0.0002","10.086","0.0002","93.235","0.002","100.546","0.002","101.55","0.001","707.16","0.03","296.1","","","","","","","","","","","6","P -1","-P 1","2","","catena-[bis(mu2-1,2-bis(4-Pyridyl)ethane)diisothiocyanato-iron(ii) ethanol solvate","","- C28 H30 Fe N6 O S2 -","- C28 H24 Fe N6 O S2 -","- C28 H24 Fe N6 O S2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104546","9.246","0.0003","9.3525","0.0003","21.5658","0.0008","87.784","0.001","78.42","0.001","66.072","0.001","1667.99","0.1","150","2","","","","","","","","","","5","P -1","-P 1","2","","(eta(5)-Cyclopentadienyl)-(N,N'-bis(2,6-di-isopropylphenyl)-2,3- dihydroimidazole-2-ylidene)-(phenylthiolato)-nickel","","- C38 H46 N2 Ni S -","- C38 H46 N2 Ni S -","- C76 H92 N4 Ni2 S2 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104547","5.4982","0.0011","7.7104","0.0015","13.452","0.003","82.25","0.03","82.83","0.03","78.55","0.03","551","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(1'-hydroxycyclododecyl)cyclododecanone","","- C24 H44 O2 -","- C24 H44 O2 -","- C24 H44 O2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104548","4.8969","","8.0055","","9.001","","80.439","","75.416","","72.802","","324.614","","245","","","","","","","","","","","5","P -1","-P 1","2","","trans-bis(1,1,1-Triflouro-2,4-pentadionato)platinum(ii)","","- C10 H8 F6 O4 Pt -","- C10 F6 O4 Pt -","- C10 F6 O4 Pt -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104549","10.911","0.003","17.863","0.005","5.573","0.003","90","","93.4","0.03","90","","1084.3","0.7","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","2-Phenyl-1-(4-methoxyphenyl)-5-(5-(tricyanoethenyl)-2-thienyl)pyrrole","","- C26 H16 N4 O S -","- C26 H16 N4 O S -","- C52 H32 N8 O2 S2 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104550","8.504","0.0006","10.0582","0.0007","11.3229","0.0008","90.242","0.001","110.246","0.001","105.451","0.001","870.83","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","bis(1-n-Butyl-1,4-diazabicyclo(2.2.2)octan-1-ium)bis(2-thioxo-1,3-dithiole- 4,5-dithiolato)-nickel(ii)","","- C26 H42 N4 Ni S10 -","- C26 H42 N4 Ni S10 -","- C26 H42 N4 Ni S10 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104551","13.6779","0.0013","10.8762","0.001","16.0769","0.0014","90","","90.024","0.002","90","","2391.7","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","trans-(1,4-bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene)2Cu2Cl4","trans-bis(mu(2)-(1,4-bis((S)-4-isopropyl-4,5-dihydro-oxazol-2-yl)benzene))- tetrachloro-di-copper(ii)","","- C36 H48 Cl4 Cu2 N4 O4 -","- C36 H48 Cl4 Cu2 N4 O4 -","- C72 H96 Cl8 Cu4 N8 O8 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104552","11.3991","0.001","14.296","0.0016","14.8001","0.0011","68.146","0.001","68.994","0.001","88.697","0.002","2072.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(mu(2)-3,6,9-trioxaundecane-1,11-dithiolato-S,S,S',S')-hexacarbonyl-di-iron","","- C14 H16 Fe2 O9 S2 -","- C14 H16 Fe2 O9 S2 -","- C56 H64 Fe8 O36 S8 -","4","2","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104553","7.888","0.002","8.103","0.002","9.59","0.002","71.95","0.003","77.227","0.004","71.76","0.003","548.3","0.2","293","2","273","2","","","","","","","","6","P -1","-P 1","2","","catena(bis(mu(2)-4-Methylpyridine-N-oxide-O)-tetrakis(mu(2)-thiocyanato-S,N)- di-nickel(ii))","","- C16 H14 N6 Ni2 O2 S4 -","- C16 H8 N6 Ni2 O2 S4 -","- C16 H8 N6 Ni2 O2 S4 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104554","10.616","0.004","10.616","","17.008","0.006","90","","90","","90","","1916.8","1","183.1","","","","","","","","","","","7","P -4 n 2","P -4 -2n","118","","catena-(tetrakis(mu(3)-2,6-bis(acetylacetato)pyridine)octakis(mu(2)-cyano)- hexadeca-aqua-tetracyano-di-chromium-tetra-cobalt-di-lanthanum","","- C32 H30 Co2 Cr La N8 O12 -","- C32 H22 Co2 Cr La N8 O12 -","- C64 H44 Co4 Cr2 La2 N16 O24 -","2","0.25","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104555","10.636","0.002","10.636","","16.878","0.002","90","","90","","90","","1909.3","0.4","183.1","","","","","","","","","","","7","P -4 n 2","P -4 -2n","118","","catena-(tetrakis(mu(3)-2,6-bis(acetylacetato)pyridine)octakis(mu(2)-cyano)- hexadeca-aqua-tetracyano-di-chromium-tetra-cobalt-di-lanthanum","","- C32 H30 Co2 Cr Gd N8 O12 -","- C32 H22 Co2 Cr Gd N8 O12 -","- C64 H44 Co4 Cr2 Gd2 N16 O24 -","2","0.25","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104556","10.281","0.007","15.338","0.01","13.684","0.009","90","","92.126","0.001","90","","2156","2","","","293","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C41 H42 Cl2 F6 Fe N2 P Pd Sb -","- C41 H42 Cl2 F6 Fe N2 P Pd Sb -","- C82 H84 Cl4 F12 Fe2 N4 P2 Pd2 Sb2 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","x-ray","0.71073","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104557","8.6244","0.0003","14.6244","0.0005","15.3213","0.0005","104.322","0.002","97.42","0.002","105.32","0.002","1766.29","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Tetraphenylarsonium tris(mu(2)-acetamidato)-tetrachloro-di-platinum(ii) pentane solvate","","- C32.5 H38 As Cl4 N3 O3 Pt2 -","- C30 H32 As Cl4 N3 O3 Pt2 -","- C60 H64 As2 Cl8 N6 O6 Pt4 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104558","8.0791","0.0018","15.672","0.003","36.082","0.008","90","","90","","90","","4568.5","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-Binaphthyl-Tf2,OH","(R)-2-(bis(Trifluoromethanesulfonato)methyl)-2'-hydroxy-1,1'-binaphthalene","","- C23 H14 F6 O5 S2 -","- C23 H14 F6 O5 S2 -","- C184 H112 F48 O40 S16 -","8","2","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104559","6.627","0.0008","10.997","0.0002","11.606","0.0002","97.894","0.008","102.044","0.009","106.543","0.009","775.29","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","meso-2,2,7,7-Tetramethyl-4,5-bis(1,4,4-trimethyl-3-oxopent-1-en-1-ylamino)- octane-3,6-dione","","- C28 H48 N2 O4 -","- C28 H12 N2 O4 -","- C28 H12 N2 O4 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104560","9.644","0.002","10.568","0.002","11.065","0.003","75.74","0.03","84.36","0.03","68.5","0.03","1016.9","0.5","293","","293","","","","","","","","","3","P -1","-P 1","2","","2-Biphenylmethanol","","- C13 H12 O -","- C13 O -","- C52 O4 -","4","2","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104561","8.406","0.0013","10.4494","0.0016","14.278","0.002","104.405","0.003","90.34","0.003","99.668","0.003","1196","0.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","bis(4-Mercaptophenoxy)-bis(2-pyridylmethoxy)-titanium","","- C24 H22 N2 O4 S2 Ti -","- C24 H20 N2 O4 S2 Ti -","- C48 H40 N4 O8 S4 Ti2 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104562","9.1271","0.0018","11.004","0.003","5.916","0.002","102.48","0.02","98.16","0.02","105.538","0.018","546.2","0.3","200.1","","","","","","","","","","","3","P -1","-P 1","2","","6,6,12,12-Tetrafluoro-2,8-diphenyl-6,12-dihydroindeno(1,2-b)fluorene","","- C32 H18 F4 -","- C32 H18 F4 -","- C32 H18 F4 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104563","9.698","0.009","14.93","0.006","4.881","0.008","99.46","0.07","98.38","0.1","79.63","0.05","680.8","1.3","200.1","","","","","","","","","","","4","P -1","-P 1","2","","6,6,12,12-Tetrafluoro-bis-2,8-bis(4-trifluoroacetyl)phenyl)-6,12- dihydroindeno(1,2-b)fluorene","","- C36 H16 F10 O2 -","- C36 H16 F10 O2 -","- C36 H16 F10 O2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104564","9.1937","0.0005","11.5288","0.0006","12.5921","0.0007","87.648","0.001","80.507","0.001","71.088","0.001","1245.22","0.12","293","2","293","2","","","","","","","synthesis","4","P -1","-P 1","2","","t-Butyl-1-(t-butoxycarbonylhydrazino)-2-(4-nitrophenylhydrazono)cyclopentane-1- carboxylate","","- C21 H31 N5 O6 -","- C21 H31 N5 O6 -","- C42 H62 N10 O12 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104565","10.62","0.003","10.801","0.003","14.555","0.005","68.923","0.004","83.075","0.004","86.064","0.004","1545.9","0.8","295","2","","","","","","","","","","6","P -1","-P 1","2","","bis(tetrakis(Imidazole)-zinc)bis(mu-4-oxo)-tetrakis(mu-3-oxo)- hexakis(mu-2-oxo)-tetradecaoxo-bis(imidazole)-octa-molybdenum hexahydrate","","- C30 H52 Mo8 N20 O32 Zn2 -","- C30 H52 Mo8 N20 O32 Zn2 -","- C30 H52 Mo8 N20 O32 Zn2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2104566","6.4358","0.0006","9.4851","0.0008","14.3753","0.0013","94.858","0.001","97.176","0.002","99.343","0.001","854.15","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,1'-bis(Dicyclohexylphosphino)cobaltocenium hexafluorophosphate","","- C34 H52 Co F6 P3 -","- C34 H52 Co F6 P3 -","- C34 H52 Co F6 P3 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104567","6.6176","0.0001","11.48","0.0002","12.5156","0.0002","67.493","0.001","77.202","0.001","86.996","0.001","856.01","0.03","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","bis(mu(2)-Chloro)-bis(bis(2-pyridin-2-ylethyl)amine-N,N',N'')-di-copper(ii) diperchlorate","","- C28 H34 Cl4 Cu2 N6 O8 -","- C28 H34 Cl4 Cu2 N6 O8 -","- C28 H34 Cl4 Cu2 N6 O8 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104568","9.378","0.003","9.474","0.003","12.814","0.004","74.499","0.004","73.807","0.005","64.67","0.005","973.7","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","8-Chloro-1-(p-chlorophenyl)-3,3-dimethyl-delta-carbolin-2,4-dione dichloromethane solvate","","- C39 H30 Cl6 N4 O4 -","- C39 H30 Cl6 N4 O4 -","- C39 H30 Cl6 N4 O4 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104569","5.838","0.001","9.441","0.002","11.595","0.002","77.15","0.03","87.89","0.03","86.22","0.03","621.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Ethoxycarbonyl-N'-m-tolylthiourea","","- C11 H14 N2 O2 S -","- C11 H11 N2 O2 S -","- C22 H22 N4 O4 S2 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104570","8.7116","0.0003","8.9282","0.0004","10.3514","0.0004","81.577","0.003","71.429","0.003","66.61","0.002","700.3","0.05","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","9-Phenyl-9H-xanthen-9-ol","","- C19 H14 O2 -","- C19 H14 O2 -","- C38 H28 O4 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104571","5.768","0.005","8.486","0.009","14.5","0.02","95.4","0.08","100.78","0.09","106.05","0.08","662","1.4","213.2","","","","","","","","","","","5","P -1","-P 1","2","","bis(Isopropylammonium)biphenyl-4,4'-disulfonate 1,4-dioxane clathrate","","- C22 H36 N2 O8 S2 -","- C22 H36 N2 O8 S2 -","- C22 H36 N2 O8 S2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.5419","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104572","6.27","0.05","7.99","0.03","14.5","0.2","82.5","0.6","89.7","0.7","89.4","0.4","720","12","296.2","","","","","","","","","","","5","P -1","-P 1","2","","bis(n-Propylammonium) biphenyl-4,4'-disulfonate 1,4-dioxane clathrate","","- C22 H36 N2 O8 S2 -","- C22 H36 N2 O8 S2 -","- C22 H36 N2 O8 S2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.5419","CuKα","","","","","","","","","","","","","","","","","has coordinates","287892","2023-11-30","16:04:09",""
"2104573","8.0057","0.0016","9.2327","0.0018","13.618","0.003","95.89","0.03","101.27","0.03","103.71","0.03","947.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","hexakis(1H-Imidazole)-cobalt(ii) bis(4-nitrobenzoate) dihydrate","","- C32 H36 Co N14 O10 -","- C32 H36 Co N14 O10 -","- C32 H36 Co N14 O10 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104574","9.8733","0.0019","10.3078","0.0018","11.5645","0.0014","111.169","0.01","93.351","0.013","93.971","0.013","1090.5","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(mu(2)-N,N'-bis(2-Pyridyl)adipoamide)-di-silver(i) diperchlorate acetonitrile solvate","","- C18 H21 Ag Cl N5 O6 -","- C18 H21 Ag Cl N5 O6 -","- C36 H42 Ag2 Cl2 N10 O12 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","281689","2023-03-07","09:04:01",""
"2104575","9.8724","0.0018","10.2111","0.0011","11.5477","0.0012","111.007","0.008","93.701","0.012","93.778","0.01","1079.5","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","catena-bis(mu(2)-N,N'-bis(2-Pyridyl)adipoamide)-di-silver(i) bis(tetrafluoro- borate) acetonitrile solvate monohydrate","","- C18 H22 Ag B F4 N5 O2.5 -","- C18 H21 Ag B F4 N5 O2.5 -","- C36 H42 Ag2 B2 F8 N10 O5 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","281689","2023-03-07","09:04:01",""
"2104576","11.0167","0.0008","8.9139","0.0008","14.87","0.001","90","","105.508","","90","","1407.1","0.19","113.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","2,2'-bis(Methoxymethoxy)-3-(2,2-dimethylindanon-5-yl)-(R)-1,1'-binaphthyl","","- C35 H32 O5 -","- C35 H32 O5 -","- C70 H64 O10 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104577","7.9747","0.0003","15.2901","0.0006","10.4868","0.0004","90","","99.03","","90","","1262.85","0.08","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","PdCl2(t-Bu-QuinoxP*)","((R,R)-2,3-bis((t-butyl)methylphosphino)quinoxaline)-dichloro-palladium dichloromethane solvate","","- C19 H30 Cl4 N2 P2 Pd -","- C19 H30 Cl4 N2 P2 Pd -","- C38 H60 Cl8 N4 P4 Pd2 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104578","9.2049","0.0013","10.0699","0.0015","22.266","0.003","91.965","0.012","100.722","0.013","110.64","0.015","1886.5","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-Methylpyridinium 4-methylpyridine pentaborate","","- C12 H19 B5 N2 O10 -","- C12 H19 B5 N2 O10 -","- C48 H76 B20 N8 O40 -","4","2","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104579","17.269","","27.3","","8.154","","90","","90","","90","","3844.15","","295","2","295","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Tribromo-bis(N,N'-dimethylpropyleneurea-O)-iron(iii)","","- C12 H24 Br3 Fe N4 O2 -","- C12 H24 Br3 Fe N4 O2 -","- C96 H192 Br24 Fe8 N32 O16 -","8","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104580","11.824","0.0004","12.2822","0.0004","14.4063","0.0005","104.507","0.002","94.677","0.002","98.883","0.002","1985.28","0.12","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","bis(bis(mu(2)-3-Bromobenzoato-O,O')-2,2'-bipyridyl)-(3-bromobenzoato-O,O')- terbium(iii) bis(3-bromo-benzoic acid) dihydrate","","- C76 H52 Br8 N4 O18 Tb2 -","- C76 H54 Br8 N4 O18 Tb2 -","- C76 H54 Br8 N4 O18 Tb2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2104581","10.2618","0.0002","11.3104","0.0002","11.8008","0.0002","69.224","0.001","80.329","0.001","74.435","0.001","1229.6","0.04","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","bis(bis(mu(2)-2-Bromobenzoato-O,O')-(acetato-O,O')-2,2'-bipridyl)-terbium(iii)","","- C52 H38 Br4 N4 O12 Tb2 -","- C52 H32 Br4 N4 O12 Tb2 -","- C52 H32 Br4 N4 O12 Tb2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104582","10.1048","0.0006","10.6755","0.0007","11.9266","0.0008","90.188","0.003","99.526","0.002","100.981","0.002","1244.79","0.14","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","bis(mu(2)-phthalato)-bis(hydrogenphthalato)-bis(1,10-phenanthroline)- tetra-aquo-di-europium(iii)","","- C56 H34 Eu2 N4 O20 -","- C56 H34 Eu2 N4 O20 -","- C56 H34 Eu2 N4 O20 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104583","11.3325","0.0006","12.315","0.0007","12.801","0.0007","63.873","0.003","68.769","0.003","80.727","0.003","1495.09","0.15","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","bis(mu(2)-2-Chlorobenzoato-O,O,O')-bis(mu(2)-2-chlorobenzoato-O,O')- bis(2-chlorobenzoato-O,O')-bis(2,2'-bipyridyl)di-dysprosium(iii)","","- C62 H40 Cl6 Dy2 N4 O12 -","- C62 H40 Cl6 Dy2 N4 O12 -","- C62 H40 Cl6 Dy2 N4 O12 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104584","8.9803","0.0002","9.116","0.0002","11.8392","0.0005","89.394","0.005","85.806","0.005","75.797","0.004","937.04","0.05","173.1","","","","","","","","","","","6","P -1","-P 1","2","","(N-(3-Methylpropyl)-N,N-bis(2-pyridylmethyl)amine-N,N',N"",O)-chloro- copper(ii) perchlorate.","","- C16 H21 Cl2 Cu N3 O5 -","- C16 H21 Cl2 Cu N3 O5 -","- C32 H42 Cl4 Cu2 N6 O10 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104585","12.818","0.0012","12.9727","0.0013","13.4625","0.0011","60.716","0.002","78.783","0.002","83.127","0.003","1914.4","0.3","296.1","","","","","","","","","","","4","P -1","-P 1","2","MeVinax","Trimethyl-vinaxanthone acetone chloroform solvent","","- C38 H35 Cl3 O15 -","- C38 H34 Cl3 O15 -","- C76 H68 Cl6 O30 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71075","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104586","8.913","0.002","5.0967","0.0011","31.892","0.007","90","","95.313","0.003","90","","1442.5","0.5","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","N-benzyl-D-glycero-D-gulo-heptonamide","","- C14 H21 N O7 -","- C14 H20.5 N O7 -","- C56 H82 N4 O28 -","4","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104587","13.518","0.003","14.663","0.003","16.499","0.003","92.87","0.03","90.92","0.03","94.06","0.03","3257.4","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","(Acetylacetonato)-(N,N'-bis(2,6-bis(3,5-difluorophenyl)phenyl)-1,4-diaza- 2,3-dimethylbutadiene)-nickel(ii) tetrakis(pentafluorophenyl)borate dichloromethane solvent","","- C70 H33 B Cl2 F28 N2 Ni O2 -","- C70 H30 B Cl2 F28 N2 Ni O2 -","- C140 H60 B2 Cl4 F56 N4 Ni2 O4 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104588","8.6793","0.0005","11.7118","0.0007","11.852","0.0007","84.111","0.001","79.798","0.001","84.993","0.001","1176.51","0.12","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","Chloro(eta(2)-4,5-dichloro-N-methyl-N'-(propen-3-yl)imidazol-2-ylidene)-eta(5)- pentamethylcyclopentadienyl-iridium(iii) hexafluorophosphate methanol solvate.","","- C35 H50 Cl6 F12 Ir2 N4 O P2 -","- C35 H46 Cl6 F12 Ir2 N4 O P2 -","- C35 H46 Cl6 F12 Ir2 N4 O P2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104589","10.143","0.0004","11.374","0.0005","16.292","0.0007","87.179","0.002","86.37","0.0019","73.739","0.0018","1799.77","0.13","293","","","","","","","","","","","3","P -1","-P 1","2","","1,3-bis(2,6-Dimethylphenyl)4,5,6,7-tetrahydro-3H-1,3-diazepin-2-yl radical.","","- C21 H26 N2 -","- C21 N2 -","- C84 N8 -","4","2","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104590","9.4284","0.0011","9.514","0.001","10.4025","0.0012","93.371","0.003","91.847","0.003","113.377","0.002","853.47","0.17","296","2","","","","","","","","","","5","P -1","-P 1","2","","N-(1-(1H-Pyrrol-2-yl)-2-phenylethylidene)-4-methylbenzenesulfonamide","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C38 H36 N4 O4 S2 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104591","11.885","0.003","14.33","0.004","14.588","0.004","61.422","0.005","73.105","0.005","68.882","0.005","2014","0.9","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H96 Cl6 N6 O12 -","- C76 H96 Cl6 N6 O12 -","- C76 H96 Cl6 N6 O12 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104592","10.376","0.005","8.884","0.005","4.378","0.005","83.046","0.005","84.413","0.005","71.181","0.005","378.5","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,4,13,15-Tetraoxa(5.5)metacyclophane","","- C18 H20 O4 -","- C18 H20 O4 -","- C18 H20 O4 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104593","8.32","0.005","8.445","0.005","7.603","0.005","118.167","0.005","66.439","0.005","124.566","0.005","381.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,4,13,15-Tetraoxa(5.5)paracyclophane","","- C18 H20 O4 -","- C18 H20 O4 -","- C18 H20 O4 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104594","9.5281","0.0012","9.6978","0.0012","9.7154","0.0012","76.882","0.002","79.524","0.002","66.31","0.001","796.47","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","bis(mu(2)-N-Salicylideneglycinato-N,O,O,O')-tetrakis(imidazole-N)-di- nickel(ii)","","- C30 H30 N10 Ni2 O6 -","- C30 H30 N10 Ni2 O6 -","- C30 H30 N10 Ni2 O6 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104595","8.608","0.004","9.683","0.004","10.836","0.005","88.964","0.006","66.644","0.006","85.468","0.005","826.5","0.6","273","2","","","","","","","","","","5","P -1","-P 1","2","","N-Salicylideneglycinato-N,O,O')-bis(imidazole-N)-di-zinc(ii)","","- C15 H15 N5 O3 Zn -","- C15 H15 N5 O3 Zn -","- C30 H30 N10 O6 Zn2 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104596","11.3322","0.0006","12.3125","0.0007","12.8349","0.0007","63.915","0.003","68.774","0.003","80.844","0.003","1499.3","0.15","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","bis(mu(2)-2-Chlorobenzoato-O,O,O')-bis(mu(2)-2-chlorobenzoato-O,O')- bis(2-chlorobenzoato-O,O')-bis(2,2'-bipyridine-N,N')-di-terbium(ii).","","- C62 H40 Cl6 N4 O12 Tb2 -","- C62 H40 Cl6 N4 O12 Tb2 -","- C62 H40 Cl6 N4 O12 Tb2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104597","19.7692","0.0006","10.0002","0.0003","13.6106","0.0004","90","","126.373","0.03","90","","2166.5","0.8","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,6-bis(Ethoxycarbonyl)-3,8-diphenyl-1,2,3,4,5a,7,8,8b-octaaza-acenaphthalene","","- C22 H20 N8 O4 -","- C22 H20 N8 O4 -","- C88 H80 N32 O16 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104598","8.922","0.0004","9.095","0.0005","9.656","0.0004","110.318","0.003","97.529","0.003","105.768","0.003","684.73","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(mu(2)-oxalato-O,O',O'',O''')-bis(2,2'-bipyridine)-di-copper(ii)) tetrahydrate","","- C12 H12 Cu N2 O6 -","- C12 H8 Cu N2 O6 -","- C24 H16 Cu2 N4 O12 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","199861","2020-10-21","18:00:00",""
"2104599","13.1083","0.0002","20.455","0.0004","13.113","0.0003","90","","89.977","0.001","90","","3515.99","0.12","100","2","","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","bis(bis(6-t-butyl-2-pyridinyl)amido)-zinc(ii)","","- C36 H48 N6 Zn -","- C36 H48 N6 Zn -","- C144 H192 N24 Zn4 -","4","2","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104600","5.097","0.0008","7.1061","0.0013","8.7475","0.0012","103.625","0.009","103.274","0.009","108.086","0.009","276.54","0.08","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cl2 N2 O8 -","- C6 H10 Cl2 N2 O8 -","- C6 H10 Cl2 N2 O8 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104601","11.536","0.0018","12.129","0.002","12.492","0.002","81.62","0.02","82.57","0.02","73.4","0.02","1650","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Bipyridyl)-bis(4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedionato)- lead(ii)","","- C76 H48 F12 N4 O8 Pb2 -","- C76 H48 F12 N4 O8 Pb2 -","- C76 H48 F12 N4 O8 Pb2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104602","16.058","","17.557","","20.922","","90","","93.144","","90","","5889.67","","","","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[N-methyl-N,N',N'-tris(2-pyridylmethylethane-1,2-diamine Mn H2O] ](BPh4)2","","- C69 H67 B2 Mn N5 O -","- C69 H65 B2 Mn N5 O -","- C276 H260 B8 Mn4 N20 O4 -","4","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","x-ray","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104603","10.089","0.0011","10.742","0.0008","11.418","0.0012","108.455","0.007","95.985","0.007","117.955","0.006","988.6","0.2","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","bis(mu-2-Fluoro)di-n-butyl-diaquo-bis(2-(dimethylaminomethylphenyl)- ditin(IV) trifluoromethylsulfonate.","","- C28 H46 F8 N2 O8 S2 Sn2 -","- C28 H46 F8 N2 O8 S2 Sn2 -","- C28 H46 F8 N2 O8 S2 Sn2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104604","4.7559","0.0002","8.1563","0.0004","8.6068","0.0004","92.436","0.002","102.362","0.001","106.146","0.001","311.4","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Trans-bis-(1,1,1-trifluoropentan-2,4-dionato) copper(II)","","- C10 H8 Cu F6 O4 -","- C10 H8 Cu F6 O4 -","- C10 H8 Cu F6 O4 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104605","7.848","0.0016","13.019","0.003","13.636","0.003","97.41","0.03","97.25","0.03","103.77","0.03","1324","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","catena-(tetrakis(mu(2)-3-(3-hydroxylphenyl)acrylato)-bis-(3-(3-hydroxyl- phenyl)acrylato)diaqua-di-europium(iii) dihydrate","","- C27 H27 Eu O12 -","- C27 H21 Eu O11 -","- C54 H42 Eu2 O22 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2104606","7.3094","0.0003","8.5764","0.0004","13.4415","0.0005","96.464","0.003","93.87","0.003","100.107","0.003","820.99","0.06","173","2","","","","","","","","","","6","P -1","-P 1","2","","bis(mu(2)-2-Amino-4,6-dimethylpyridine-N,N')-bis(2-amino-4,6-dimethyl- pyrimidine-N)-di-silver perchlorate.","","- C24 H36 Ag2 Cl2 N12 O8 -","- C24 H18 Ag2 Cl2 N12 O8 -","- C24 H18 Ag2 Cl2 N12 O8 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104607","7.89","0.09","5.76","0.03","11.18","0.07","90","","90.4","0.2","90","","508","7","","","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,5R,6S)-6-Methyl-2-phenyl-4-oxa-1-azabicyclo[3,2,0]heptane-7-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C24 H26 N2 O4 -","2","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104608","13.1202","0.0013","16.6253","0.0016","17.5706","0.0017","78.601","0.002","81.694","0.002","89.735","0.002","3716.5","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","bis(mu(2)-5,10,15-Tris(3,5-di-t-butyl)phenyl)-20(1H-1,2,3-triazol-4-yl)- di-zinc(ii) acetonitrile benzene solvate","","- C168 H194 N22 Zn2 -","- C168 H194 N22 Zn2 -","- C168 H194 N22 Zn2 -","1","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2104609","14.737","","22.671","","20.833","0.004","90","","90","","90","","6960.4","1.3","150","2","","","","","","","","","","7","C 2 2 21","C 2c 2","20","","Tetrakis(mu(3)-Acetato-O,O,O')-bis(mu(2)-acetato-O,O)-bis(mu(2)-(eta- propyliminomethyl)-4-methyl-6-((bis(pyridin-2-ylmethyl)amino)phenolato)- bis(methanol)-tetra-nickel(ii)-sodium perchlorate.","","- C62 H80 Cl N8 Na Ni4 O20 -","- C62 H80 Cl N8 Na Ni4 O20 -","- C248 H320 Cl4 N32 Na4 Ni16 O80 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104610","14.8237","0.0016","22.6797","0.0016","21.3521","0.0018","90","","90","","90","","7178.5","1.1","150","2","","","","","","","","","","8","C 2 2 21","C 2c 2","20","","Tetrakis(mu(3)-Acetato-O,O,O')-bis(mu(2)-acetato-O,O)-bis(mu(2)-(eta- propyliminomethyl)-4-methyl-6-((bis(pyridin-2-ylmethyl)amino)phenolato)- bis(methanol)-tetra-nickel(ii)-sodium hexafluorophosphate.","","- C62 H80 F6 N8 Na Ni4 O16 P -","- C62 H80 F6 N8 Na Ni4 O16 P -","- C248 H320 F24 N32 Na4 Ni16 O64 P4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104611","8.697","0.003","16.353","0.003","12.652","0.004","90","","102.78","0.02","90","","1754.8","0.9","288.2","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","Dichloro-(bis(6-(neopentylamino)pyrid-2-ylmethyl)(pyrid-2-ylmethyl)amine- N,N',N'',N''')-ruthenium(iii) hexafluorophosphate monohydrate","","- C28 H44 Cl2 F6 N6 O2 P Ru -","- C28 H44 Cl2 F6 N6 O2 P Ru -","- C56 H88 Cl4 F12 N12 O4 P2 Ru2 -","2","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","191014","2020-10-21","18:00:00",""
"2104612","18.319","0.017","14.366","0.015","26.75","0.03","90","","110.29","0.07","90","","6603","12","200","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Catena-(tetrakis(mu(2)-(1-(1-imidazolyl)-4-(imidazol-1-ylmethyl)benzene))- bis(sulfato)-di-copper(ii) heptadecahydrate)","","- C26 H41 Cu N8 O12.5 S -","- C26 H24 Cu N8 O12.5 S -","- C208 H192 Cu8 N64 O100 S8 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71075","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104613","18.741","","14.455","","26.423","","90","","110.856","","90","","6689.01","","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Catena-tetrakis(mu(2)-(1-(1-imidazole)-4-(imidazol-1-ylmethyl)benzene))- diaqua-bis(sulfato)-di-cobalt(ii) hydrate","","- C26 H40.5 Co N8 O12.25 S -","- C26 H24 Co N8 O12.25 S -","- C208 H192 Co8 N64 O98 S8 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104614","15.127","","10.928","","22.186","","90","","106.339","","90","","3519.4","","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-Benzoyl-N',N""-bis(piperidine)phosphoric triamide","","- C17 H26 N3 O2 P -","- C17 H26 N3 O2 P -","- C136 H208 N24 O16 P8 -","8","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104615","13.266","0.0005","16.846","0.0007","16.703","0.0008","90","","90","","90","","3732.8","0.3","296.1","","","","","","","","","","","6","P b a m","-P 2 2ab","55","","catena-[tetrakis(mu(2)-1,2-bis(4-pyridyl)ethane)-tetrakis(isoselenocyanato)- di(iron(ii) bis(ethanol) clathrate]","","- C30 H36 Fe N6 O2 Se2 -","- C32 H24 Fe N6 Se2 -","- C128 H96 Fe4 N24 Se8 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104616","4.6688","0.0017","19.13","0.01","15.883","0.009","90","","100.99","0.01","90","","1392.6","1.2","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-bis(1,1,1-Trifluoro-2,4-pentadionato)platinum(ii)","","- C10 H8 F6 O4 Pt -","- C10 F6 O4 Pt -","- C40 F24 O16 Pt4 -","4","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104617","11.816","0.002","15.599","0.003","19.642","0.004","90","","98.22","0.03","90","","3583.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","mu(2)-N-(3-Carboxysalicylidene)-N'-(salicylaldehyde)- (1,2-ethylenediamine-N,N',O,O,O',O'-aqua-(methanol)-di-copper(ii)- magnesium methanol solvate","","- C36 H36 Cu2 Mg N4 O11 -","- C36 H36 Cu2 Mg N4 O11 -","- C144 H144 Cu8 Mg4 N16 O44 -","4","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2104618","25.844","","13.221","0.008","12.663","0.008","90","","98.278","","90","","4282","4","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(4-Adamantylphenoxy)-bis(2-pyridylmethoxy)-titanium","","- C44 H50 N2 O4 Ti -","- C44 H50 N2 O4 Ti -","- C176 H200 N8 O16 Ti4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104619","11.978","0.001","12.653","0.001","10.363","0.001","90","","90","","90","","1570.6","0.2","295","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","bis(2-Methylamino-4-methylimino-2-pentene)copper(II)","","- C14 H26 Cu N4 -","- C12 Cu N4 -","- C48 Cu4 N16 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104620","15.4073","0.0002","15.4073","0.0002","19.6748","0.0003","90","","90","","90","","4670.5","0.11","10","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","N-oxipicoline","4-methylpyridine-N-oxide","","- C6 D7 N O -","- C6 D6.75 N O -","- C192 D216 N32 O32 -","32","4","BK5090","Palatinus, Lukáš; Damay, Françoise","Towards a more reliable symmetry determination from powder diffraction: a redetermination of the low-temperature structure of 4-methylpyridine-<i>N</i>-oxide","Acta Crystallographica Section B","2009","65","6","784","786","10.1107/S0108768109042608","powder diffraction","neutron","1.2253","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104621","5.4698","0.0008","5.4698","0.0008","8.992","0.003","90","","90","","120","","232.99","0.09","298","2","298","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- K N O3 -","- K N O3 -","- K3 N3 O9 -","3","0.166667","BP5023","Freney, Evelyn J.; Garvie, Laurence A. J.; Groy, Thomas L.; Buseck, Peter R.","Growth and single-crystal refinement of phase-III potassium nitrate, KNO~3~","Acta Crystallographica Section B","2009","65","6","659","663","10.1107/S0108768109041019","","","0.71073","MoKα","","0.0224","0.0224","","","0.0544","0.0544","","","","","","1.226","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104622","5.4325","0.0002","5.4325","0.0002","8.8255","0.0007","90","","90","","120","","225.56","0.02","123","2","123","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- K N O3 -","- K N O3 -","- K3 N3 O9 -","3","0.166667","BP5023","Freney, Evelyn J.; Garvie, Laurence A. J.; Groy, Thomas L.; Buseck, Peter R.","Growth and single-crystal refinement of phase-III potassium nitrate, KNO~3~","Acta Crystallographica Section B","2009","65","6","659","663","10.1107/S0108768109041019","","","0.71073","MoKα","","0.0167","0.0167","","","0.041","0.041","","","","","","1.137","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104623","26.4353","0.0019","5.1398","0.0004","9.0845","0.0006","90","","90","","90","","1234.33","0.15","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","chlorpropamide, ε`-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.073","0.0466","","","0.0833","0.0878","","","","","","0.971","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104624","19.805","0.002","7.35","0.0007","9.1295","0.0009","90","","90","","90","","1329","0.2","250","2","250","2","","","","","","","","6","P n a 21","P 2c -2n","33","chlorpropamide, ε-form","4-chloro-<i>N</i>-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.0873","0.0442","","","0.091","0.0984","","","","","","0.849","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104625","26.455","0.004","5.1924","0.0009","9.1219","0.0011","90","","90","","90","","1253","0.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","chlorpropamide, ε`-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.1103","0.0542","","","0.1186","0.1274","","","","","","0.902","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104626","26.657","0.006","5.0938","0.0016","8.9941","0.0018","90","","90","","90","","1221.3","0.5","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.0641","0.0407","","","0.1001","0.1361","","","","","","1.061","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104627","26.675","0.005","5.1438","0.0014","9.037","0.0016","90","","90","","90","","1240","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.0621","0.0393","","","0.0764","0.092","","","","","","1.105","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104628","26.673","0.006","5.2296","0.0019","9.088","0.002","90","","90","","90","","1267.7","0.6","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.0906","0.0512","","","0.093","0.1163","","","","","","1.13","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104629","","","","","","","","","","","","","","","","","","","","","","","","","","0","","","","","","","?","","","","","HW5005","King, Graham; Garcia-Martin, Susana; Woodward, Patrick M.","Octahedral tilt twinning and compositional modulation in NaLaMgWO~6~","Acta Crystallographica Section B","2009","65","6","676","683","10.1107/S0108768109032728","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104630","27.82406","0.00016","5.35267","0.00004","5.16992","0.00003","90","","92.0469","0.0004","90","","769.48","0.009","298","","298","","","","","","","","via synthetic","4","P 1 21 1","P 2yb","4","","(S)-4-decyloxycarbonyl-2-azetidinone","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C28 H50 N2 O6 -","2","1","KD5033","Seijas, Luis E.; Mora, Asiloé J.; Delgado, Gerzon E.; López-Carrasquero, Francisco; Báez, María E.; Brunelli, Michela; Fitch, Andrew N.","Molecular and crystalline structures of three (<i>S</i>)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data","Acta Crystallographica Section B","2009","65","6","724","730","10.1107/S0108768109036386","powder diffraction","x-ray","0.850227","","","","","","","","","0.08634","","1.76","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104631","31.08412","0.00033","5.35782","0.00004","5.21197","0.00005","90","","94.1094","0.0007","90","","865.786","0.014","298","","298","","","","","","","","via synthetic","4","P 1 21 1","P 2yb","4","","(S)-4-dodecyloxycarbonyl-2-azetidinone","","- C16 H29 N O3 -","- C16 H29 N O3 -","- C32 H58 N2 O6 -","2","1","KD5033","Seijas, Luis E.; Mora, Asiloé J.; Delgado, Gerzon E.; López-Carrasquero, Francisco; Báez, María E.; Brunelli, Michela; Fitch, Andrew N.","Molecular and crystalline structures of three (<i>S</i>)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data","Acta Crystallographica Section B","2009","65","6","724","730","10.1107/S0108768109036386","powder diffraction","x-ray","0.850227","","","","","","","","","0.06302","","1.87","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104632","37.15863","0.00033","5.35911","0.00005","5.30974","0.00005","90","","92.1693","0.0006","90","","1056.61","0.017","298","","298","","","","","","","","via synthetic","4","P 1 21 1","P 2yb","4","","(S)-4-hexadecyloxycarbonyl-2-azetidinone","","- C20 H37 N O3 -","- C20 H37 N O3 -","- C40 H74 N2 O6 -","2","1","KD5033","Seijas, Luis E.; Mora, Asiloé J.; Delgado, Gerzon E.; López-Carrasquero, Francisco; Báez, María E.; Brunelli, Michela; Fitch, Andrew N.","Molecular and crystalline structures of three (<i>S</i>)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data","Acta Crystallographica Section B","2009","65","6","724","730","10.1107/S0108768109036386","powder diffraction","x-ray","0.850227","","","","","","","","","0.06998","","2.22","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104633","11.1055","0.0001","11.6712","0.0001","18.0627","0.0001","90","","102.675","0.0003","90","","2284.13","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 N O -","- C33 H23 N O -","- C132 H92 N4 O4 -","4","1","PI5002","Farrugia, Louis J.; Kočovský, Pavel; Senn, Hans Martin; Vyskočil, Štěpán","Weak intra- and intermolecular interactions in a binaphthol imine: an experimental charge-density study on (±)-8'-benzhydrylideneamino-1,1'-binaphthyl-2-ol","Acta Crystallographica Section B","2009","65","6","757","769","10.1107/S010876810903273X","","x-ray","0.71073","MoKα","","0.042","0.024","","","","0.015","","","","","","1.768","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104634","8.8195","0.0003","17.5085","0.0005","18.308","0.0005","90","","90.444","0.001","90","","2826.97","0.15","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H10 Co4 O12 -","- C28 H10 Co4 O12 -","- C112 H40 Co16 O48 -","4","1","PI5003","Overgaard, Jacob; Platts, Jamie A.; Iversen, Bo B.","Experimental and theoretical charge-density study of a tetranuclear cobalt carbonyl complex","Acta Crystallographica Section B","2009","65","6","715","723","10.1107/S0108768109045091","","","0.71073","MoKα","","0.021","0.016","","","","0.021","","","","","","1.53","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104635","20.574","0.0005","25.593","0.0008","10.586","0.0007","90","","90","","90","","5574.1","0.4","100","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C129 H132 Ag2 Br2 N P6 -","- C129 H132 Ag2 Br2 N P6 -","- C258 H264 Ag4 Br4 N2 P12 -","2","0.5","PS5003","Omondi, Bernard; Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout","Isomorphism in monomeric 1:3 complexes of silver(I) salts with tri-<i>p</i>-tolylphosphine","Acta Crystallographica Section B","2009","65","6","699","706","10.1107/S0108768109036404","","","0.71069","MoKα","","","0.0426","","","","0.0947","","","","","","1.059","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104636","20.134","0.005","25.899","0.0006","10.636","0.0002","90","","90","","90","","5546.1","1.4","100","2","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C128 H126 Ag2 N2 O P6 S2 -","- C128 H126 Ag2 N2 O P6 S2 -","- C256 H252 Ag4 N4 O2 P12 S4 -","2","0.5","PS5003","Omondi, Bernard; Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout","Isomorphism in monomeric 1:3 complexes of silver(I) salts with tri-<i>p</i>-tolylphosphine","Acta Crystallographica Section B","2009","65","6","699","706","10.1107/S0108768109036404","","","0.71069","MoKα","","","0.0336","","","","0.0744","","","","","","1.039","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104637","19.8625","0.0008","25.3785","0.0009","11.6858","0.0005","90","","90","","90","","5890.6","0.4","100","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C66 H69 Ag Cl O5 P3 -","- C66 H69 Ag Cl O5 P3 -","- C264 H276 Ag4 Cl4 O20 P12 -","4","1","PS5003","Omondi, Bernard; Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout","Isomorphism in monomeric 1:3 complexes of silver(I) salts with tri-<i>p</i>-tolylphosphine","Acta Crystallographica Section B","2009","65","6","699","706","10.1107/S0108768109036404","","","0.71073","MoKα","","","0.0397","","","","0.1091","","","","","","1.039","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104638","7.488","0.001","13.934","0.001","14.275","0.001","90","","90","","90","","1489.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","bergenin","","","- C14 H18 O10 -","- C14 H18 O10 -","- C56 H72 O40 -","4","1","SN5088","Dittrich, Birger; Weber, Manuela; Kalinowski, Roman; Grabowsky, Simon; Hübschle, Christian B.; Luger, Peter","How to easily replace the independent atom model ‒ the example of bergenin, a potential anti-HIV agent of traditional Asian medicine","Acta Crystallographica Section B","2009","65","6","749","756","10.1107/S0108768109046060","","","1.54178","CuKα","","0.015","0.013","","","","0.026","","","","","","1.867","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104639","9.4715","0.0004","11.4963","0.0005","13.0802","0.0006","90","","90","","90","","1424.27","0.11","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.71073","MoKα","","0.0686","0.0638","","0.1525","0.1496","0.1525","","","","","","1.0783","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104640","9.431","0.003","11.438","0.007","13.018","0.003","90","","90","","90","","1404.3","1","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0738","0.0415","","0.0606","0.0465","0.0465","","","","","","0.9772","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104641","9.1517","0.0006","11.1659","0.0016","12.5744","0.0007","90","","90","","90","","1284.9","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0724","0.0464","","0.0714","0.0595","0.0595","","","","","","1.0281","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104642","9.0252","0.0005","11.0298","0.0014","12.335","0.0006","90","","90","","90","","1227.9","0.18","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0649","0.0445","","0.0623","0.0554","0.0554","","","","","","0.9819","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104643","8.944","0.0005","10.9336","0.0014","12.1698","0.0006","90","","90","","90","","1190.09","0.18","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0727","0.0464","","0.0657","0.0544","0.0544","","","","","","0.9971","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104644","8.8854","0.0005","10.8632","0.0014","12.0516","0.0006","90","","90","","90","","1163.27","0.17","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0691","0.0446","","0.0633","0.053","0.053","","","","","","0.9897","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104645","8.8458","0.0005","10.8143","0.0014","11.9708","0.0006","90","","90","","90","","1145.14","0.17","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0761","0.0428","","0.0595","0.0479","0.0479","","","","","","0.9885","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104646","8.8188","0.0006","10.7838","0.0017","11.9105","0.0008","90","","90","","90","","1132.7","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.078","0.0449","","0.0637","0.0513","0.0513","","","","","","0.9832","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104647","8.7881","0.0013","10.735","0.002","11.859","0.002","90","","90","","90","","1118.8","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0944","0.0532","","0.0891","0.0607","0.0607","","","","","","1.0186","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104648","8.7873","0.001","10.71","0.002","11.8632","0.0012","90","","90","","90","","1116.5","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0994","0.0606","","0.0936","0.0746","0.0746","","","","","","1.0228","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104649","8.778","0.002","10.656","0.004","11.884","0.003","90","","90","","90","","1111.6","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.1307","0.0997","","0.1512","0.1348","0.1348","","","","","","1.0183","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104650","6.9233","0.0002","19.0222","0.0005","5.303","0.0002","90","","90","","90","","698.39","0.04","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.71073","MoKα","","0.0324","0.032","","0.0439","0.0437","0.0439","","","","","","1.2012","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104651","6.8922","0.0002","19.0021","0.0019","5.2919","0.0002","90","","90","","90","","693.06","0.08","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4769","synchrotron","","0.0408","0.0305","","0.0358","0.0342","0.0342","","","","","","1.0431","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104652","6.7622","0.0002","18.7945","0.0019","5.2343","0.0002","90","","90","","90","","665.24","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4769","synchrotron","","0.0509","0.0288","","0.0326","0.029","0.029","","","","","","0.9038","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104653","6.6284","0.0003","18.508","0.003","5.1615","0.0003","90","","90","","90","","633.2","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4769","synchrotron","","0.0403","0.0333","","0.0356","0.03","0.03","","","","","","0.8308","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104654","6.549","0.0003","18.259","0.003","5.1169","0.0003","90","","90","","90","","611.87","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4769","synchrotron","","0.0504","0.0325","","0.0333","0.0278","0.0278","","","","","","1.0501","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104655","6.4955","0.0004","18","0.004","5.093","0.0004","90","","90","","90","","595.47","0.15","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","","synchrotron","","0.0614","0.0434","","0.0591","0.0444","0.0444","","","","","","0.9179","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104656","6.4885","0.0014","17.834","0.007","5.0983","0.0013","90","","90","","90","","590","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4769","synchrotron","","0.1079","0.0778","","0.1457","0.0931","0.0931","","","","","","0.9157","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104657","6.5299","0.0005","7.6432","0.0006","11.6081","0.0009","90","","93.59","0.005","90","","578.22","0.08","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C18 H26 N2 O12 S2 -","2","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.71073","MoKα","","0.057","0.0528","","0.0555","0.0547","0.0555","","","","","","1.1771","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104658","6.4946","0.0004","7.6198","0.0003","11.5599","0.0017","90","","93.306","0.007","90","","571.12","0.09","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C18 H26 N2 O12 S2 -","2","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0432","0.0355","","0.0392","0.0354","0.0354","","","","","","0.8985","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104659","6.3782","0.0003","7.4754","0.0003","11.445","0.0013","90","","92.591","0.007","90","","545.14","0.07","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C18 H26 N2 O12 S2 -","2","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0361","0.0288","","0.03","0.0267","0.0267","","","","","","0.8801","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104660","10.2176","0.0008","8.2463","0.0005","12.6853","0.0017","90","","114.238","0.009","90","","974.61","0.18","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0948","0.0682","","0.0904","0.0667","0.0667","","","","","","0.9493","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104661","9.9602","0.0009","8.1894","0.0006","12.475","0.002","90","","113.06","0.011","90","","936.3","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0805","0.0529","","0.0785","0.0533","0.0533","","","","","","0.9869","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104662","9.7934","0.0008","8.1603","0.0005","12.3534","0.0017","90","","112.384","0.009","90","","912.86","0.17","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0737","0.0553","","0.0691","0.0593","0.0593","","","","","","1.0205","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104663","9.7046","0.0005","8.1477","0.0003","12.3071","0.0013","90","","112.034","0.006","90","","902.05","0.12","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0743","0.0584","","0.0824","0.0639","0.0639","","","","","","0.9996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104664","9.6213","0.0011","8.129","0.0008","12.298","0.003","90","","112.049","0.013","90","","891.5","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.0861","0.0672","","0.0919","0.0742","0.0742","","","","","","0.959","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104665","9.5437","0.0017","8.1824","0.0012","12.151","0.004","90","","111.3","0.02","90","","884.1","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","S-4-Sulfo-L-Phenylalanine monohydrate","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","2","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.478","synchrotron","","0.1495","0.1111","","0.1976","0.1263","0.1263","","","","","","0.7378","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105702","6.97","0.003","9.514","0.005","9.752","0.005","90","","90","","90","","646.7","0.6","150","","150","","","","","","","","Aldrich","3","P b c a","-P 2ac 2ab","61","","","","- C3 H4 O -","- C3 H4 O -","- C24 H32 O8 -","8","1","","Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd","Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test","Acta Crystallographica Section B Structural Science","2009","65","2","107","125","10.1107/S0108768109004066","","","0.71073","MoKα","","0.057","0.0447","","0.1195","0.0996","0.1195","","","","","","1.4022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105703","3.8943","0.0005","13.5109","0.0017","14.4296","0.0017","90","","93.636","0.002","90","","757.69","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-dibromo-1-chloro-4-fluorobenzene","","- C6 H2 Br2 Cl F -","- C6 H2 Br2 Cl F -","- C24 H8 Br8 Cl4 F4 -","4","1","","Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd","Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test","Acta Crystallographica Section B Structural Science","2009","65","2","107","125","10.1107/S0108768109004066","","","0.71073","MoKα","","0.039","0.036","","","0.088","0.089","","","","","","1.08","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105704","13.06","0.003","9.738","0.002","9.335","0.002","90","","105.8","0.003","90","","1142.4","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 S3 -","- C10 H10 N2 S3 -","- C40 H40 N8 S12 -","4","1","","Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd","Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test","Acta Crystallographica Section B Structural Science","2009","65","2","107","125","10.1107/S0108768109004066","","","0.71073","MoKα","","0.0515","0.0324","","","0.0705","0.0766","","","","","","0.985","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105705","7.2795","0.001","13.6699","0.0018","12.6695","0.0016","90","","96.646","0.003","90","","1252.3","0.3","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-4-methylpyrimidine, 2-methylbenzoic acid","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd","Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test","Acta Crystallographica Section B Structural Science","2009","65","2","107","125","10.1107/S0108768109004066","","","0.71073","MoKα","","0.0799","0.0457","","","0.1075","0.1218","","","","","","1.009","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105706","11.17701","0.00007","11.17701","0.00007","11.17701","0.00007","90","","90","","90","","1396.29","0.015","237","","293","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","Silicon bromide","Silicontetrabromide","","- Br4 Si -","- Br4 Si -","- Br32 Si8 -","8","0.333333","BK5083","Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen","SiBr4‒ prediction and determination of crystal structures","Acta Crystallographica Section B Structural Science","2009","65","3","342","349","10.1107/S0108768109012051","powder diffraction","x-ray","0.92103","synchrotron","","","","","","","","0.0056","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105707","10.1319","0.0004","6.7002","0.0002","10.2389","0.0003","90","","102.665","0.002","90","","678.16","0.04","147","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Silicon bromide","Silicontetrabromide","","- Br4 Si -","- Br4 Si -","- Br16 Si4 -","4","1","BK5083","Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen","SiBr4‒ prediction and determination of crystal structures","Acta Crystallographica Section B Structural Science","2009","65","3","342","349","10.1107/S0108768109012051","powder diffraction","x-ray","0.92103","synchrotron","","","","","","","","0.02541","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"9014704","6.1675","","6.8327","","9.1517","","90","","99.492","","90","","380.379","","","","","","","","","","","","Vendida mine, Sierra Gorda district, Chile","4","P 1 21/n 1","-P 2yn","14","","","Clinoatacamite","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl4 Cu8 H12 O12 -","4","1","","Malcherek, T.; Schluter, J.","Structures of the pseudo-trigonal polymorphs of Cu2(OH)3Cl Note: Sample #1","Acta Crystallographica, Section B","2009","65","3","334","341","10.1107/S0108768109013901","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""