# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T14:04:27+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 'IUCrJ') AND volume = 12 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
"1573192","4.5384","0.0003","20.439","0.005","13.531","0.002","90","","97.006","0.008","90","","1245.8","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","LQ5058","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1725","0.0598","","","0.1446","0.1958","","","","","","0.901","","","","has coordinates","296004","2024-11-20","02:47:53",""
"1573193","4.2338","0.0002","19.838","0.004","12.9059","0.001","90","","95.613","0.005","90","","1078.8","0.2","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1103","0.0691","","","0.2176","0.2431","","","","","","0.978","","","","has coordinates","296004","2024-11-20","02:47:55",""
"1573194","3.5971","0.0001","21.658","0.009","12.7908","0.0009","90","","95.339","0.005","90","","992.2","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.0851","0.0519","","","0.1414","0.16","","","","","","0.959","","","","has coordinates","296004","2024-11-20","02:48:01",""
"1573195","3.4912","0.0001","12.687","0.003","21.531","0.006","91.51","0.02","90.434","0.009","95.82","0.008","948.4","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1058","0.0628","","","0.1419","0.1645","","","","","","0.957","","","","has coordinates","296004","2024-11-20","02:48:13",""
"1573196","3.4134","0.0001","12.5674","0.0019","21.367","0.005","91.675","0.015","90.433","0.007","95.755","0.006","911.5","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.077","0.0509","","","0.1288","0.143","","","","","","0.949","","","","has coordinates","296004","2024-11-20","02:48:23",""
"1573197","3.3501","0.0001","12.453","0.002","21.244","0.005","91.709","0.018","90.417","0.008","95.599","0.007","881.6","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.0806","0.0574","","","0.1517","0.1677","","","","","","0.972","","","","has coordinates","296004","2024-11-20","02:48:36",""
"1573198","3.2931","0.0002","12.347","0.004","21.133","0.007","91.42","0.03","90.439","0.011","95.29","0.011","855.3","0.4","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.127","0.0763","","","0.1988","0.2308","","","","","","1.005","","","","has coordinates","296004","2024-11-20","02:48:41",""
"1573199","3.1883","0.0004","12.1605","0.0018","20.825","0.006","91.99","0.02","90.297","0.018","95.206","0.011","803.6","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.0869","0.0631","","","0.1837","0.2107","","","","","","0.986","","","","has coordinates","296004","2024-11-20","02:48:48",""
"1573200","3.1077","0.0004","11.995","0.002","20.571","0.008","91.56","0.03","89.92","0.03","95.171","0.013","763.4","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1824","0.1427","","","0.324","0.364","","","","","","1.677","","","","has coordinates","296004","2024-11-20","02:49:00",""
"1573201","7.1494","0.00018","10.9139","0.0003","17.7592","0.0005","90","","102.584","0.003","90","","1352.42","0.07","109.99","0.12","109.99","0.12","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0287","0.0229","","","0.0543","0.0567","","","","","","1.0543","","","","has coordinates","296005","2024-11-20","02:49:56",""
"1573202","7.17156","0.00018","10.9455","0.0003","17.7694","0.0005","90","","102.742","0.003","90","","1360.48","0.07","150.06","0.1","150.06","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0318","0.0251","","","0.0499","0.0522","","","","","","1.091","","","","has coordinates","296005","2024-11-20","02:49:58",""
"1573203","7.1945","0.0002","10.9948","0.0003","17.7698","0.0005","90","","102.926","0.003","90","","1370.01","0.07","190","0.1","190","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0277","0.0221","","","0.0532","0.0555","","","","","","1.0974","","","","has coordinates","296005","2024-11-20","02:50:05",""
"1573204","7.2211","0.0002","11.0779","0.0003","17.7769","0.0005","90","","103.161","0.003","90","","1384.7","0.07","250","0.1","250","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0319","0.0245","","","0.0524","0.0552","","","","","","1.0489","","","","has coordinates","296005","2024-11-20","02:50:11",""
"1573205","7.2277","0.0006","11.248","0.0009","17.7562","0.0014","90","","103.578","0.008","90","","1403.2","0.2","290","0.1","290","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0794","0.0373","","","0.077","0.12","","","","","","1.0195","","","","has coordinates","296005","2024-11-20","02:50:12",""
"1573206","7.2522","0.0005","11.4389","0.0008","17.705","0.0013","90","","104.385","0.007","90","","1422.71","0.18","350","0.1","350","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0785","0.0418","","","0.1036","0.1345","","","","","","1.0112","","","","has coordinates","296005","2024-11-20","02:50:14",""
"1573348","8.1695","0.0004","10.658","0.003","5.0531","0.0001","90","","90","","90","","439.98","0.13","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0532","0.0487","","","0.1478","0.1778","","","","","","1.189","","","","has coordinates","296163","2024-11-29","03:01:54",""
"1573349","8.35707","0.00012","10.714","0.002","5.11006","0.00005","90","","90","","90","","457.54","0.09","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.2229","synchrotron","","0.0661","0.0566","","","0.1465","0.1577","","","","","","1.019","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573350","8.1572","0.0003","10.64","0.003","5.0499","0.0001","90","","90","","90","","438.29","0.12","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0404","0.0387","","","0.0966","0.102","","","","","","1.042","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573351","8.0991","0.0003","10.54","0.005","5.0319","0.0003","90","","90","","90","","429.5","0.2","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0503","0.0414","","","0.1095","0.1152","","","","","","0.997","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573352","8.1701","0.0004","10.6651","0.0003","5.0554","0.0001","90","","90","","90","","440.5","0.03","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0289","0.0279","","","0.0779","0.0787","","","","","","1.115","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573353","8.2334","0.0007","10.717","0.006","5.0641","0.0003","90","","90","","90","","446.8","0.3","293","","293","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0621","0.0503","","","0.1383","0.1597","","","","","","1.034","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573354","8.1412","0.0009","10.6227","0.0008","5.0448","0.0002","90","","90","","90","","436.28","0.06","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0494","0.0449","","","0.1136","0.1162","","","","","","0.975","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573355","8.1559","0.0002","10.636","0.003","5.0475","0.0001","90","","90","","90","","437.85","0.12","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.037","0.0337","","","0.0924","0.0957","","","","","","1.036","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573356","8.1865","0.0004","10.67","0.005","5.0479","0.0002","90","","90","","90","","440.9","0.2","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0499","0.0452","","","0.1263","0.13","","","","","","1.046","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573357","8.2501","0.0002","10.694","0.003","5.06794","0.00016","90","","90","","90","","447.13","0.13","293","2","293","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.35424","synchrotron","","0.1001","0.099","","","0.2505","0.2519","","","","","","1.029","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573358","8.2846","0.0002","10.697","0.002","5.0823","0.0001","90","","90","","90","","450.4","0.09","293","2","293","2","1500000","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0669","0.0593","","","0.1608","0.171","","","","","","1.053","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573359","8.0977","0.0006","10.5415","0.001","5.0266","0.0002","90","","90","","90","","429.08","0.05","293","","293","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H0 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.2229","synchrotron","","0.2921","0.1875","","","0.2063","0.239","","","","9.1391","9.1391","7.7139","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573360","8.2199","0.0006","10.6921","0.0002","5.0603","0.0001","90","","90","","90","","444.74","0.03","293","2","293","2","2330000","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0541","0.0326","","","0.1013","0.1238","","","","","","1.003","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573361","8.1356","0.0008","10.6329","0.0003","5.0386","0.0001","90","","90","","90","","435.86","0.05","293","2","293","2","3300000","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0731","0.0634","","","0.2044","0.2107","","","","","","1.199","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573362","8.0899","0.0013","10.5425","0.0005","5.0237","0.0001","90","","90","","90","","428.46","0.07","293","2","293","2","4100000","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.215","0.1982","","","0.542","0.5621","","","","","","2.427","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573363","8.31709","0.00017","10.706","0.003","5.09489","0.00007","90","","90","","90","","453.66","0.13","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.2229","synchrotron","","0.0626","0.0562","","","0.1595","0.1687","","","","","","1.084","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573364","8.2502","0.0002","10.685","0.003","5.0695","0.0001","90","","90","","90","","446.89","0.13","293","2","293","2","2100000","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0649","0.0549","","","0.1513","0.1621","","","","","","1.072","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573365","8.2161","0.0002","10.673","0.003","5.0579","0.0001","90","","90","","90","","443.53","0.13","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0806","0.0558","","","0.1756","0.196","","","","","","1.081","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573477","16.6633","0.0006","4.7294","0.0002","19.6488","0.0007","90","","110.091","0.004","90","","1454.24","0.1","99.9","0.3","99.9","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","YC5049","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0389","0.0321","","","0.0817","0.0867","","","","","","1.039","","","","has coordinates","296941","2024-12-21","02:46:56",""
"1573478","16.6728","0.0005","4.7388","0.0001","19.668","0.0006","90","","110.024","0.003","90","","1460.01","0.08","130","0.3","130","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0422","0.0351","","","0.0895","0.0967","","","","","","1.036","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573479","16.6842","0.0006","4.7293","0.0001","19.692","0.0007","90","","110.036","0.004","90","","1459.75","0.09","140","0.14","140","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0402","","","0.1115","0.1152","","","","","","1.035","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573480","16.6876","0.0007","4.7329","0.0002","19.6859","0.0009","90","","110.002","0.005","90","","1461.02","0.12","145.05","0.1","145.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0435","0.0407","","","0.1134","0.1176","","","","","","1.048","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573481","16.6834","0.0008","4.7362","0.0002","19.6927","0.001","90","","109.981","0.006","90","","1462.37","0.13","150.05","0.1","150.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0433","0.0407","","","0.1139","0.1175","","","","","","1.04","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573482","16.6852","0.0007","4.7457","0.0002","19.6763","0.0007","90","","109.949","0.004","90","","1464.54","0.11","150.1","0.2","150.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0352","","","0.0922","0.1001","","","","","","1.045","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573483","16.6821","0.0008","4.7392","0.0002","19.6849","0.0009","90","","109.948","0.005","90","","1462.91","0.12","155.05","0.1","155.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0443","0.0415","","","0.1182","0.1217","","","","","","1.058","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573484","16.6868","0.0006","4.7394","0.0001","19.6945","0.0007","90","","109.936","0.004","90","","1464.21","0.09","160.05","0.1","160.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0438","0.0407","","","0.1122","0.1165","","","","","","1.052","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573485","16.6819","0.0006","4.7422","0.0002","19.6945","0.0008","90","","109.915","0.004","90","","1464.84","0.11","165.05","0.1","165.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0435","0.0402","","","0.1112","0.116","","","","","","1.052","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573486","16.6847","0.0007","4.7475","0.0002","19.6847","0.0009","90","","109.844","0.005","90","","1466.65","0.12","170","0.14","170","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0447","0.0414","","","0.1151","0.1196","","","","","","1.065","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573487","16.6837","0.0007","4.75","0.0002","19.6845","0.0008","90","","109.814","0.005","90","","1467.6","0.12","175.1","0.2","175.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.044","0.0411","","","0.1137","0.1185","","","","","","1.05","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573488","16.6837","0.0006","4.7513","0.0002","19.6812","0.0008","90","","109.784","0.004","90","","1468.03","0.11","180.1","0.2","180.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0442","0.0411","","","0.1137","0.1181","","","","","","1.05","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573489","16.68","0.0007","4.7547","0.0002","19.6846","0.0008","90","","109.773","0.005","90","","1469.11","0.12","185.1","0.14","185.1","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.045","0.042","","","0.1167","0.1208","","","","","","1.049","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573490","16.6841","0.0007","4.7564","0.0002","19.6818","0.0008","90","","109.74","0.005","90","","1470.09","0.12","190","0.14","190","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0446","0.0412","","","0.1132","0.1181","","","","","","1.035","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573491","16.6798","0.0005","4.7618","0.0001","19.6808","0.0007","90","","109.657","0.004","90","","1472.07","0.08","200.05","0.1","200.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0439","0.0406","","","0.1131","0.1173","","","","","","1.045","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573492","16.684","0.0007","4.7634","0.0002","19.6972","0.0007","90","","109.674","0.004","90","","1474.01","0.11","200.1","0.3","200.1","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0418","0.0338","","","0.0862","0.093","","","","","","1.046","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573493","16.6906","0.0009","4.7903","0.0002","19.6824","0.0009","90","","109.367","0.005","90","","1484.62","0.13","249.9","0.2","249.9","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0472","0.0349","","","0.0889","0.0986","","","","","","1.059","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573494","16.692","0.0004","4.8145","0.0001","19.6756","0.0005","90","","109.059","0.003","90","","1494.53","0.07","299.95","0.1","299.95","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0488","0.0433","","","0.1207","0.1282","","","","","","1.059","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573495","16.6911","0.001","4.8164","0.0003","19.6669","0.001","90","","109.032","0.006","90","","1494.62","0.16","299.6","0.8","299.6","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0512","0.0371","","","0.0967","0.1083","","","","","","1.024","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573496","16.6","0.04","4.7781","0.0004","19.218","0.009","90","","110.32","0.13","90","","1429","4","295","2","295","2","","","640000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.143","0.0799","","","0.1933","0.2267","","","","","","1.067","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573497","16.56","0.03","4.7226","0.0003","19.187","0.007","90","","110.99","0.11","90","","1401","3","295","2","295","2","","","940000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1748","0.0869","","","0.2034","0.2645","","","","","","1.123","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573498","16.6147","0.0011","4.8463","0.0004","19.3274","0.0011","90","","109.551","0.007","90","","1466.51","0.19","99.9","0.3","99.9","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0901","0.0649","","","0.1613","0.1868","","","","","","1.035","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573499","16.6128","0.0004","4.8607","0.0001","19.3367","0.0005","90","","109.37","0.003","90","","1473.05","0.07","140.05","0.1","140.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0407","","","0.1108","0.1134","","","","","","1.038","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573500","16.55","0.03","4.6266","0.0003","19.089","0.006","90","","111.96","0.09","90","","1356","3","295","2","295","2","","","1410000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1394","0.091","","","0.2251","0.2743","","","","","","1.097","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573501","16.6153","0.0005","4.8619","0.0001","19.34","0.0005","90","","109.35","0.003","90","","1474.07","0.07","145.05","0.1","145.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0408","","","0.1115","0.1141","","","","","","1.039","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573502","16.6155","0.0004","4.8646","0.0001","19.3384","0.0005","90","","109.321","0.003","90","","1475.05","0.07","150.05","0.1","150.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0433","0.0415","","","0.1144","0.1168","","","","","","1.07","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573503","16.6252","0.0013","4.8647","0.0004","19.3379","0.0011","90","","109.278","0.008","90","","1476.3","0.2","150.1","0.14","150.1","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0902","0.0597","","","0.1546","0.1899","","","","","","1.044","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573504","16.6176","0.0004","4.8671","0.0001","19.3394","0.0005","90","","109.301","0.003","90","","1476.25","0.07","155.05","0.1","155.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0439","0.0416","","","0.1154","0.1184","","","","","","1.077","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573505","16.6174","0.0003","4.8695","0.0001","19.3375","0.0004","90","","109.268","0.002","90","","1477.11","0.05","160.05","0.1","160.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0435","0.0411","","","0.1138","0.1176","","","","","","1.064","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573506","16.6187","0.0003","4.872","0.0001","19.3377","0.0004","90","","109.242","0.002","90","","1478.23","0.05","165.05","0.1","165.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0445","0.0422","","","0.116","0.1191","","","","","","1.05","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573507","16.6197","0.0003","4.8747","0.0001","19.3362","0.0004","90","","109.217","0.002","90","","1479.25","0.05","170","0.14","170","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0448","0.042","","","0.1149","0.1196","","","","","","1.041","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573508","16.6216","0.0004","4.877","0.0001","19.3388","0.0004","90","","109.193","0.002","90","","1480.54","0.06","175","0.14","175","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0456","0.0432","","","0.1182","0.1218","","","","","","1.057","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573509","16.6256","0.0003","4.8792","0.0001","19.3393","0.0004","90","","109.164","0.002","90","","1481.86","0.05","180","0.14","180","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0459","0.0436","","","0.1191","0.1229","","","","","","1.059","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573510","16.6268","0.0003","4.881","0.0001","19.3397","0.0004","90","","109.141","0.002","90","","1482.75","0.05","185.05","0.1","185.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0453","0.043","","","0.1176","0.1211","","","","","","1.052","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573511","16.6279","0.0003","4.8825","0.0001","19.3411","0.0004","90","","109.105","0.002","90","","1483.73","0.05","190","0.1","190","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0458","0.0437","","","0.1203","0.1235","","","","","","1.068","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573512","16.53","0.02","4.5612","0.0003","19.065","0.007","90","","112.63","0.1","90","","1326.8","1.9","295","2","295","2","","","1930000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1668","0.0889","","","0.217","0.2908","","","","","","1.071","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573513","16.6313","0.0005","4.8871","0.0001","19.3441","0.0006","90","","109.05","0.003","90","","1486.16","0.08","199.95","0.1","199.95","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0461","0.0436","","","0.1199","0.1251","","","","","","1.062","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573514","16.6408","0.001","4.8878","0.0003","19.3501","0.001","90","","109.048","0.006","90","","1487.7","0.16","200.1","0.3","200.1","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0898","0.0588","","","0.1475","0.1883","","","","","","1.087","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573515","16.48","0.04","4.5205","0.0004","19.083","0.012","90","","113.24","0.16","90","","1306","4","295","2","295","2","","","2460000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1127","0.0583","","","0.1512","0.1868","","","","","","1.106","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573516","16.6494","0.0014","4.9069","0.0004","19.3575","0.0013","90","","108.812","0.009","90","","1497","0.2","250","0.14","250","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0824","0.0528","","","0.1372","0.1652","","","","","","1.021","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573517","16.469","0.014","4.4857","0.0002","19.042","0.004","90","","113.63","0.05","90","","1288.8","1.2","295","2","295","2","","","2760000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1295","0.0878","","","0.2301","0.2812","","","","","","1.128","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573518","16.462","0.012","4.4828","0.0002","19.038","0.003","90","","113.66","0.05","90","","1286.8","1.1","295","2","295","2","","","2870000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1303","0.0857","","","0.2175","0.2702","","","","","","1.018","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573519","16.446","0.01","4.46879","0.00018","19.038","0.003","90","","113.81","0.04","90","","1280.1","0.9","295","2","295","2","","","2900000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","","0.71073","MoKα","","0.0966","0.0602","","","0.1447","0.1738","","","","","","1.049","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573520","16.33","0.07","4.4824","0.0009","19.06","0.02","90","","113.4","0.3","90","","1280","6","295","2","295","2","","","2970000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1125","0.0727","","","0.1827","0.2271","","","","","","1.037","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573521","16.6688","0.0005","4.9269","0.0001","19.3733","0.0006","90","","108.522","0.003","90","","1508.63","0.08","300","0.14","300","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0521","0.0483","","","0.1349","0.1416","","","","","","1.067","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573522","16.661","0.0013","4.9284","0.0004","19.3767","0.0013","90","","108.52","0.008","90","","1508.7","0.2","300.1","0.8","300.1","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0834","0.0515","","","0.1275","0.1536","","","","","","1.013","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573523","16.429","0.012","4.4214","0.0003","19.02","0.004","90","","114.32","0.05","90","","1259","1.1","295","2","295","2","","","3290000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.0977","0.0616","","","0.1393","0.1618","","","","","","1.069","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573524","16.44","0.09","4.4104","0.0011","18.97","0.03","90","","114","0.4","90","","1257","8","295","2","295","2","","","3470000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1214","0.0663","","","0.1559","0.1866","","","","","","1.111","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573525","16.46","0.06","4.3839","0.0007","18.94","0.02","90","","114.3","0.3","90","","1246","6","295","2","295","2","","","3730000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1379","0.0904","","","0.2204","0.2711","","","","","","1.037","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573526","16.6711","0.0003","4.9272","0.0001","19.3744","0.0004","90","","108.512","0.002","90","","1509.1","0.05","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0441","0.0368","","","0.0984","0.1049","","","","","","1.031","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573579","11.2439","0.0002","11.2772","0.0002","13.4027","0.0002","65.901","0.002","87.254","0.001","79.439","0.001","1524.37","0.05","100","0.1","100","0.1","","","","","","","Meloxicam was purchased from ABCR","5","P -1","-P 1","2","meloxicam","4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide","","- C14 H13 N3 O4 S2 -","- C14 H13 N3 O4 S2 -","- C56 H52 N12 O16 S8 -","4","2","ED5031","Jeziorna, Agata; Malinska, Maura; Sugden, Isaac; Paluch, Piotr; Dolot, Rafał; Dudek, Marta K.","SCXRD, CSP-NMRX and microED in the quest for three elusive polymorphs of meloxicam.","IUCrJ","2025","12","1","","","10.1107/S2052252524011898","","x-ray","1.54184","CuKα","","0.0356","0.0328","","","0.0901","0.0915","","","","","","1.074","","","","has coordinates","297061","2025-01-04","02:45:19",""
"1573873","5.17","0.002","10.11","0.0019","20.71","0.003","90","","90","","90","","1082.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Biotin","","","- C10 H16 N2 O3 S -","- C10 H16 N2 O3 S -","- C40 H64 N8 O12 S4 -","4","1","","Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A.","Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.","IUCrJ","2025","12","2","","","10.1107/S2052252524012132","","","0.0251","Electron","","0.1322","0.1282","","","0.3245","0.3269","","","","","","1.196","","","","has coordinates","297679","2025-02-11","03:41:59",""
"1573874","5.51","0.002","8.24","0.0019","9.72","0.003","90","","90.33","","90","","441.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cu(II)-serine","","","- C12 H24 Cu2 N4 O12 -","- C12 H24 Cu2 N4 O12 -","- C12 H24 Cu2 N4 O12 -","1","0.5","","Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A.","Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.","IUCrJ","2025","12","2","","","10.1107/S2052252524012132","","","0.0251","Electron","","0.1357","0.1217","","","0.3225","0.3441","","","","","","1.125","","","","has coordinates","297679","2025-02-11","03:42:05",""
"1573875","9.07","0.002","4.91","0.0019","14.97","0.003","90","","106.94","0.05","90","","637.7","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Zn(II)-methionine","","","- C20 H40 N4 O8 S4 Zn2 -","- C20 H40 N4 O8 S4 Zn2 -","- C20 H40 N4 O8 S4 Zn2 -","1","0.5","","Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A.","Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.","IUCrJ","2025","12","2","","","10.1107/S2052252524012132","","","0.0251","Electron","","0.1684","0.1482","","","0.373","0.3815","","","","","","1.404","","","","has coordinates","297679","2025-02-11","03:42:07",""
"1573876","7.09","0.002","7.09","0.0019","29.07","0.003","90","","90","","90","","1461.3","0.6","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Zn(II)-histidine","","","- C12 H16 N6 O4 Zn -","- C12 H16 N6 O4 Zn -","- C48 H64 N24 O16 Zn4 -","4","0.5","","Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A.","Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.","IUCrJ","2025","12","2","","","10.1107/S2052252524012132","","","0.0251","Electron","","0.1885","0.1654","","","0.4","0.419","","","","","","1.191","","","","has coordinates","297679","2025-02-11","03:42:07",""
"1573877","9.6","0.002","13.145","0.002","13.28","0.006","79.53","0.01","71.78","0.01","69.39","0.01","1485.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Co(II)-meso-tetraphenylporphyrin","","- C44 H28 Co N4 -","- C44 H28 Co N4 -","- C88 H56 Co2 N8 -","2","1","","Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A.","Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.","IUCrJ","2025","12","2","","","10.1107/S2052252524012132","","","0.01969","Electron","","0.188","0.1612","","","0.4325","0.452","","","","","","1.589","","","","has coordinates","297679","2025-02-11","03:42:08",""
"1574021","8.8766","0.0001","17.645","0.0001","17.2008","0.0001","90","","91.5518","0.0006","90","","2693.13","0.04","95","","95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 N2 O2 -","- C29 H44 N2 O2 -","- C116 H176 N8 O8 -","4","1","LT5073","Zmeškalová, Eliška; Stara, František; Havlůjová, Tereza; Šoóš, Miroslav","Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties.","IUCrJ","2025","12","2","","","10.1107/S2052252525001009","","","1.54184","CuKα","","0.036","0.0347","","0.0912","0.0901","0.0912","","","","","","0.9803","","","","has coordinates","297922","2025-02-28","03:21:20",""
"1574022","8.7047","0.0001","26.7487","0.0001","11.0627","0.0001","90","","111.236","0.0008","90","","2400.92","0.04","95","","95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 N2 O2 -","- C25 H42 N2 O2 -","- C100 H168 N8 O8 -","4","1","LT5073","Zmeškalová, Eliška; Stara, František; Havlůjová, Tereza; Šoóš, Miroslav","Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties.","IUCrJ","2025","12","2","","","10.1107/S2052252525001009","","","1.54184","CuKα","","0.0473","0.0463","","0.1278","0.1266","0.1278","","","","","","0.8694","","","","has coordinates,has disorder","297922","2025-02-28","03:21:20",""
"1574023","4.5073","0.0001","11.4901","0.0001","36.7494","0.0003","90","","90","","90","","1903.23","0.05","95","","95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 -","- C21 H32 O2 -","- C84 H128 O8 -","4","1","LT5073","Zmeškalová, Eliška; Stara, František; Havlůjová, Tereza; Šoóš, Miroslav","Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties.","IUCrJ","2025","12","2","","","10.1107/S2052252525001009","","","1.54184","CuKα","","0.0377","0.037","","0.0959","0.0955","0.0959","","","","","","0.9908","","","","has coordinates","297922","2025-02-28","03:21:21",""
"1574357","4.09358","0.0001","5.63601","0.00016","6.64675","0.00017","103.946","0.002","91.017","0.002","91.983","0.002","148.687","0.007","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C3 H I O S2 -","- C3 H I O S2 -","- C3 H I O S2 -","1","1","","Shukla, Rahul; Aubert, Emmanuel; Brezgunova, Mariya; Lebègue, Sébastien; Fourmigué, Marc; Espinosa, Enrique","The origin of synthons and supramolecular motifs: beyond atoms and functional groups.","IUCrJ","2025","12","3","","","10.1107/S2052252525001447","","","0.71073","MoKα","","0.0484","0.0353","","","0.068","0.0793","","","","","","1.137","","","","has coordinates","299208","2025-04-08","02:05:03",""
"1574526","5.79932","0.00016","5.94057","0.00012","12.2815","0.0003","90","","90","","90","","423.113","0.018","40","","40","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2478","synchrotron","","0.0327","0.0273","","","0.0642","0.0655","","","","","","1.056","","","","has coordinates","299422","2025-04-26","02:11:25",""
"1574527","5.8033","0.0002","5.95953","0.00015","12.2978","0.0003","90","","90","","90","","425.32","0.02","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2489","synchrotron","","0.0277","0.024","","","0.0627","0.0638","","","","","","1.082","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574528","5.80343","0.00013","5.98084","0.00014","12.3143","0.0003","90","","90","","90","","427.422","0.017","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2481","synchrotron","","0.0364","0.031","","","0.0776","0.0798","","","","","","1.069","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574529","5.803","0.0003","6.0038","0.0003","12.333","0.0005","90","","90","","90","","429.68","0.04","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2481","synchrotron","","0.0423","0.0366","","","0.0889","0.0914","","","","","","1.09","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574530","5.27398","0.00014","11.655","0.0003","7.8107","0.0002","90","","93.993","0.003","90","","478.94","0.02","85","","85","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2484","synchrotron","","0.0293","0.0235","","","0.07","0.0723","","","","","","1.053","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574531","5.274","0.00018","11.6462","0.0004","7.8849","0.0003","90","","94.073","0.004","90","","483.08","0.03","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2484","synchrotron","","0.0358","0.0287","","","0.0756","0.0786","","","","","","1.059","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574532","5.2794","0.0003","11.6513","0.0007","7.9226","0.0005","90","","94.112","0.006","90","","486.08","0.05","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","","Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji","Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.","IUCrJ","2025","12","3","","","10.1107/S2052252525002647","","","0.2484","synchrotron","","0.0373","0.0302","","","0.0815","0.0852","","","","","","1.04","","","","has coordinates","299422","2025-04-26","02:11:26",""
"1574545","9.1243","0.0005","9.6491","0.0004","8.7744","0.0004","90","","104.232","0.005","90","","748.8","0.06","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","tyramine","4-(2-aminoethyl)phenol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","2","","Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena","Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective.","IUCrJ","2025","12","3","","","10.1107/S2052252525002210","","x-ray","0.71073","MoKα","","0.102","0.062","","","0.1264","0.1403","","","","","","1.028","","","","has coordinates","299443","2025-04-29","02:05:12",""
"1574546","5.4977","0.0002","8.9826","0.0004","14.6789","0.0007","85.742","0.004","89.93","0.004","81.52","0.004","714.96","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tyramine","4-(2-aminoethyl)phenol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","2","","Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena","Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective.","IUCrJ","2025","12","3","","","10.1107/S2052252525002210","","x-ray","0.71073","MoKα","","0.0791","0.0604","","","0.1631","0.1735","","","","","","0.995","","","","has coordinates","299443","2025-04-29","02:05:15",""
"1574547","9.1192","0.0001","19.0384","0.0002","10.0172","0.0001","90","","95.648","0.001","90","","1730.69","0.03","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","tyramine barbitalate water ⟨ 1:1:1^+^/1^-^/1 ⟩","2-(4-Hydroxyphenyl)ethanaminium 5,5-diethyl-2,4,6-trioxotetrahydro-2<i>H</i>-pyrimidin-1-ide monohydrate","","- C32 H47 N5 O7 -","- C32 H47 N5 O7 -","- C64 H94 N10 O14 -","2","1","","Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena","Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective.","IUCrJ","2025","12","3","","","10.1107/S2052252525002210","","x-ray","1.54184","CuKα","","0.0417","0.0404","","","0.1155","0.1172","","","","","","1.059","","","","has coordinates","299443","2025-04-29","02:05:17",""
"1574548","17.23677","0.00006","17.23677","0.00006","62.5877","0.0003","90","","90","","120","","16103.9","0.11","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","'tyraminium barbitalate acetonitrile ⟨1^+^/1^-^/1⟩\́","2-(4-Hydroxyphenyl)ethanaminium 5,5-diethyl-2,4,6-trioxotetrahydro-2<i>H</i>-pyrimidin-1-ide monohydrate","","- C16.67 H24 N3.33 O4 -","- C16.6667 H24.0002 N3.33333 O4 -","- C600 H864.007 N120 O144 -","36","1","","Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena","Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective.","IUCrJ","2025","12","3","","","10.1107/S2052252525002210","","x-ray","1.54184","CuKα","","0.0637","0.0635","","","0.1484","0.1484","","","","","","0.961","","","","has coordinates,has disorder","299443","2025-04-29","02:05:17",""