# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-16T12:07:28+02:00
# 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 'Crystals') AND volume = 11 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
"1560703","13.0437","0.0002","24.3865","0.0005","28.8657","0.0005","90","","101.971","0.002","90","","8982.2","0.3","173","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cl2 Ir N8 Pt -","- C54.5 H32 Cl2 Ir N8 Pt -","- C436 H256 Cl16 Ir8 N64 Pt8 -","8","1","","Wu, Si-Hai; Ma, Dian-Xue; Gong, Zhong-Liang; Ma, Junjie; Shao, Jiang-Yang; Yang, Rong; Zhong, Yu-Wu","Synthesis, Photophysical, and Computational Studies of a Bridged Ir^III^-Pt^II^ Heterodimetallic Complex","Crystals","2021","11","3","236","","10.3390/cryst11030236","","","0.71073","MoKα","","0.0543","0.0442","","","0.112","0.1179","","","","","","1.087","","","","has coordinates","262275","2021-02-26","15:42:47",""
"1563171","10.532","0.0006","13.2619","0.0007","18.1118","0.001","70.883","0.005","74.056","0.005","85.86","0.004","2297.9","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H92 Co5 N2 O48 -","- C76 H52 Co5 O44 -","- C76 H52 Co5 O44 -","1","0.5","","Lu, Bing-Bing; Han, Xue; Feng, Cheng-Jie; Wang, Duo; Ye, Fei","Two Co(II)-Based MOFs Constructed from Resorcin[4]Arene Ligand: Syntheses, Structures, and Heterogeneous Catalyst for Conversion of CO2","Crystals","2021","11","6","574","","10.3390/cryst11060574","","","0.71073","MoKα","","0.1538","0.0847","","","0.1648","0.1883","","","","","","1.211","","","","has coordinates","266187","2021-06-06","00:06:52",""
"1563172","11.2564","0.0006","15.9785","0.0009","16.5583","0.001","62.347","0.006","73.527","0.005","70.219","0.005","2453.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H86 Co6 N2 O48 -","- C82 H52 Co6 N2 O46 -","- C82 H52 Co6 N2 O46 -","1","0.5","","Lu, Bing-Bing; Han, Xue; Feng, Cheng-Jie; Wang, Duo; Ye, Fei","Two Co(II)-Based MOFs Constructed from Resorcin[4]Arene Ligand: Syntheses, Structures, and Heterogeneous Catalyst for Conversion of CO2","Crystals","2021","11","6","574","","10.3390/cryst11060574","","","0.71073","MoKα","","0.1109","0.0663","","","0.1369","0.1559","","","","","","1.175","","","","has coordinates","266187","2021-06-06","00:07:04",""
"1564146","14.8197","0.0007","9.1753","0.0005","39.094","0.002","90","","94.49","0.005","90","","5299.5","0.5","173","0.2","173","0.2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C49.8 H81.1 O15.75 -","- C49.8 H81.09 O15.745 -","- C199.2 H324.36 O62.98 -","4","1","","Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey","Crystal Structures of New Ivermectin Pseudopolymorphs","Crystals","2021","11","2","172","","10.3390/cryst11020172","","","1.54184","CuKα","","0.0982","0.0971","","","0.2572","0.2584","","","","","","1.052","","","","has coordinates","267527","2021-07-14","07:41:43",""
"1564147","16.7127","0.0002","24.5777","0.0002","24.5908","0.0002","90","","90","","90","","10100.9","0.17","160","0.1","160","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98.1 H151.2 O29 -","- C98.1 H151.2 O29 -","- C392.4 H604.8 O116 -","4","1","","Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey","Crystal Structures of New Ivermectin Pseudopolymorphs","Crystals","2021","11","2","172","","10.3390/cryst11020172","","","1.54184","CuKα","","0.1051","0.0981","","","0.2873","0.2987","","","","","","1.485","","","","has coordinates","267528","2021-07-14","07:43:21",""
"1564148","16.7309","0.0001","24.5805","0.0002","24.5797","0.0002","90","","90","","90","","10108.5","0.13","160","0.2","160","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98.1 H152.2 O28.5 -","- C98.1 H147.2 O28.5 -","- C392.4 H588.8 O114 -","4","1","","Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey","Crystal Structures of New Ivermectin Pseudopolymorphs","Crystals","2021","11","2","172","","10.3390/cryst11020172","","","1.54184","CuKα","","0.101","0.0972","","","0.2745","0.2815","","","","","","1.043","","","","has coordinates","267529","2021-07-14","07:44:55",""
"1566037","18.3434","0.0017","6.7313","0.0008","10.8844","0.0012","90","","90","","90","","1344","0.3","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","Bredigite","","","- Ca7 Mg O16 Si4 -","- Ca7 Mg O16 Si4 -","- Ca28 Mg4 O64 Si16 -","4","0.5","","Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi","Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite","Crystals","2020","11","1","14","","10.3390/cryst11010014","","","0.71073","MoKα","","0.0675","0.0472","","","0.1157","0.1289","","","","","","1.004","","","","has coordinates","272127","2022-01-19","09:39:56",""
"1566038","11.4728","0.0003","14.2115","0.0004","16.0992","0.0004","92.018","0.002","91.054","0.002","112.546","0.002","2421.34","0.12","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H45 Cu F6 N2 O1.5 P3 -","- C56 H45 Cu F6 N2 O1.5 P3 -","- C112 H90 Cu2 F12 N4 O3 P6 -","2","1","","Arnosti, Nina; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin; Housecroft, Catherine","Heteroleptic [Cu(P^P)(N^N)][PF6] Complexes: Effects of Isomer Switching from 2,2′-biquinoline to 1,1′-biisoquinoline","Crystals","2021","11","2","185","","10.3390/cryst11020185","","x-ray","1.34143","GaKα","","0.0468","0.0457","","","0.1252","0.1269","","","","","","1.032","","","","has coordinates,has disorder","272128","2022-01-19","09:48:42",""
"1566039","8.9307","0.0004","28.9448","0.0012","16.2421","0.0007","90","","105.674","0.002","90","","4042.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[PrL3(MeOH)2]","","","- C44 H32 F9 O8 Pr -","- C44 H32 F9 O8 Pr -","- C176 H128 F36 O32 Pr4 -","4","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.0533","0.0437","","","0.0829","0.0853","","","","","","1.243","","","","has coordinates","272129","2022-01-19","09:58:38",""
"1566040","11.9059","0.0004","15.3694","0.0005","16.5675","0.0006","79.097","0.002","70.308","0.002","67.575","0.002","2632.08","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[PrL3(bipy)2]","","","- C62 H40 F9 N4 O6 Pr -","- C62 H40 F9 N4 O6 Pr -","- C124 H80 F18 N8 O12 Pr2 -","2","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.0318","0.0276","","","0.0697","0.0728","","","","","","0.991","","","","has coordinates,has disorder","272129","2022-01-19","09:58:39",""
"1566041","13.2021","0.0005","14.6509","0.0006","24.8108","0.001","90","","98.938","0.002","90","","4740.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[PrL3(4,4'-dimethoxy-bipy]","","","- C54 H36 F9 N2 O8 Pr -","- C54 H36 F9 N2 O8 Pr -","- C216 H144 F36 N8 O32 Pr4 -","4","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.029","0.026","","","0.0602","0.0622","","","","","","1.146","","","","has coordinates","272129","2022-01-19","09:58:39",""
"1566042","20.1848","0.0006","11.9034","0.0003","19.6102","0.0006","90","","90","","90","","4711.7","0.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[PrL3(5,5'-Me2bipy)]","","","- C54 H36 F9 N2 O6 Pr -","- C54 H36 F9 N2 O6 Pr -","- C216 H144 F36 N8 O24 Pr4 -","4","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.0329","0.0266","","","0.0509","0.0534","","","","","","1.029","","","","has coordinates","272129","2022-01-19","09:58:40",""
"1566043","6.9675","0.001","7.6046","0.0012","20.706","0.003","83.02","0.012","80.403","0.012","83.126","0.012","1068.2","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cl N O -","- C28 H20 Cl N O -","- C56 H40 Cl2 N2 O2 -","2","1","","Tan, Zeqing; Zhao, Jian; Sun, Jingzhi; Zhao, Jiaxin; He, Xinrui; Liu, Zhe; Zhu, Lin; Cheng, Xiao; Zhou, Chuanjian","CHCl3-Dependent Emission Color and Jumping Behavior of Cyclic Chalcone Single Crystals: The Halogen Bond Network Effect","Crystals","2021","11","5","530","","10.3390/cryst11050530","","x-ray","0.71073","MoKα","","0.1391","0.0704","","","0.1837","0.2068","","","","","","0.949","","","","has coordinates,has disorder","272130","2022-01-19","10:15:35",""
"1566044","10.1961","0.0016","10.854","0.0016","14.091","0.002","84.387","0.012","87.485","0.012","84.125","0.012","1542.9","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cl7 N O -","- C30 H22 Cl7 N O -","- C60 H44 Cl14 N2 O2 -","2","1","","Tan, Zeqing; Zhao, Jian; Sun, Jingzhi; Zhao, Jiaxin; He, Xinrui; Liu, Zhe; Zhu, Lin; Cheng, Xiao; Zhou, Chuanjian","CHCl3-Dependent Emission Color and Jumping Behavior of Cyclic Chalcone Single Crystals: The Halogen Bond Network Effect","Crystals","2021","11","5","530","","10.3390/cryst11050530","","","0.71073","MoKα","","0.1272","0.0841","","","0.2234","0.2609","","","","","","1.067","","","","has coordinates","272130","2022-01-19","10:15:36",""
"3000295","5.88318","0.00013","10.6214","0.0002","6.745","0.0003","90","","106.043","0.0019","90","","405.07","0.02","293","","293","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","Silver chromium diphosphorus hexasulfide","Silver chromium diphosphorus hexasulfide","","- Ag Cr P2 S6 -","- Ag Cr P2 S6 -","- Ag2 Cr2 P4 S12 -","2","0.5","","Selter, Sebastian; Shemerliuk, Yuliia; Buechner, Bernd; Aswartham, Saicharan","Crystal Growth of the Quasi-2D Quarternary Compound Ag Cr P2 S6 by Chemical Vapor Transport","Crystals","2021","11","","500","","10.3390/cryst11050500","powder diffraction","x-ray","1.54059","CuKα~1~","","0.0545","0.0523","","0.0569","0.0567","","","","2.13","","","","","","","has coordinates","265070","2021-05-10","11:55:42",""