# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T04:40:51+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 21 3' 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
"1000236","10.257","0.001","10.257","0.001","10.257","0.001","90","","90","","90","","1079.1","","","","","","","","","","","","","4","I 21 3","I 2b 2c 3","199","","Sodium calcium aluminium fluoride (2/3/2/14)","","- Al2 Ca3 F14 Na2 -","- Al2 Ca3 F14 Na2 -","- Al8 Ca12 F56 Na8 -","4","0.166667","","Courbion, G; Ferey, G","Na~2~ Ca~3~ Al~2~ F~14~: A New Example of a Structure with ""Independent F^-^"" - A New Method of Comparison between Fluorides and Oxides of Different Formula","Journal of Solid State Chemistry","1988","76","","426","431","10.1016/0022-4596(88)90239-3","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004122","11.0488","0.0001","11.0488","0.0001","11.0488","0.0001","90","","90","","90","","1348.8","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","Bismuth gadolinium oxide (0.65/0.35/1.5)","","- Bi0.65 Gd0.35 O1.5 -","- Bi0.64975 Gd0.35025 O1.5 -","- Bi20.792 Gd11.208 O48 -","32","1.33333","","Drache, M; Conflant, P; Obbade, S; Wignacourt, J P; Watanabe, A","Stability, thermal behaviour, and crystal structure of ion ordered Bi1- x Lnx O1.5 phases (Ln = Sm - Dy)","Journal of Solid State Chemistry","1997","129","","98","104","10.1006/jssc.1996.7236","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010332","10.39","","10.39","","10.39","","90","","90","","90","","1121.6","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Ytterbium oxide","","- O3 Yb2 -","- O3 Yb2 -","- O48 Yb32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010333","10.52","","10.52","","10.52","","90","","90","","90","","1164.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Thulium oxide","","- O3 Tm2 -","- O3 Tm2 -","- O48 Tm32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010334","10.54","","10.54","","10.54","","90","","90","","90","","1170.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Erbium oxide","","- Er2 O3 -","- Er2 O3 -","- Er32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010335","10.58","","10.58","","10.58","","90","","90","","90","","1184.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Holmium oxide","","- Ho2 O3 -","- Ho2 O3 -","- Ho32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010336","10.63","","10.63","","10.63","","90","","90","","90","","1201.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Dysprosium oxide","","- Dy2 O3 -","- Dy2 O3 -","- Dy32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010337","10.7","","10.7","","10.7","","90","","90","","90","","1225","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Terbium oxide","","- O3 Tb2 -","- O3 Tb2 -","- O48 Tb32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and Thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010338","10.79","","10.79","","10.79","","90","","90","","90","","1256.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Gadolinium oxide","","- Gd2 O3 -","- Gd2 O3 -","- Gd32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010339","10.84","","10.84","","10.84","","90","","90","","90","","1273.8","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Europium oxide","","- Eu2 O3 -","- Eu2 O3 -","- Eu32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010340","10.85","","10.85","","10.85","","90","","90","","90","","1277.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Samarium oxide","","- O3 Sm2 -","- O3 Sm2 -","- O48 Sm32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010341","10.12","","10.12","","10.12","","90","","90","","90","","1036.4","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Indium oxide","","- In2 O3 -","- In2 O3 -","- In32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010516","7.77","","7.77","","7.77","","90","","90","","90","","469.1","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Dinitrogen tetraoxide","","- N2 O4 -","- N2 O4 -","- N12 O24 -","6","0.25","","Vegard, L","Die Struktur von festem N~2~ O~4~ bei der Temperatur von fluessiger Luft.","Zeitschrift fuer Physik","1931","68","","184","203","10.1007/BF01390966","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010585","9.79","0.03","9.79","0.03","9.79","0.03","90","","90","","90","","938.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Scandium oxide","","- O3 Sc2 -","- O3 Sc2 -","- O48 Sc32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010586","9.41","0.01","9.41","0.01","9.41","0.01","90","","90","","90","","833.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Manganese(III) oxide","","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010587","10.6","0.02","10.6","0.02","10.6","0.02","90","","90","","90","","1191","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Yttrium oxide","","- O3 Y2 -","- O3 Y2 -","- O48 Y32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010588","10.12","0.03","10.12","0.03","10.12","0.03","90","","90","","90","","1036.4","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Indium oxide","","- In2 O3 -","- In2 O3 -","- In32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010589","10.85","0.02","10.85","0.02","10.85","0.02","90","","90","","90","","1277.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Samarium oxide","","- O3 Sm2 -","- O3 Sm2 -","- O48 Sm32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010590","10.63","0.02","10.63","0.02","10.63","0.02","90","","90","","90","","1201.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Dysprosium oxide","","- Dy2 O3 -","- Dy2 O3 -","- Dy32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010591","10.58","0.02","10.58","0.02","10.58","0.02","90","","90","","90","","1184.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Holmium oxide","","- Ho2 O3 -","- Ho2 O3 -","- Ho32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010592","10.54","0.02","10.54","0.02","10.54","0.02","90","","90","","90","","1170.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Erbium oxide","","- Er2 O3 -","- Er2 O3 -","- Er32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010593","10.52","0.02","10.52","0.02","10.52","0.02","90","","90","","90","","1164.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Thulium oxide","","- O3 Tm2 -","- O3 Tm2 -","- O48 Tm32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010594","10.39","0.02","10.39","0.02","10.39","0.02","90","","90","","90","","1121.6","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Ytterbium oxide","","- O3 Yb2 -","- O3 Yb2 -","- O48 Yb32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010595","10.37","0.02","10.37","0.02","10.37","0.02","90","","90","","90","","1115.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Lutetium oxide","","- Lu2 O3 -","- Lu2 O3 -","- Lu32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010927","10.57","","10.57","","10.57","","90","","90","","90","","1180.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Thallium(III) oxide","Avicennite","- O3 Tl2 -","- O3 Tl2 -","- O48 Tl32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010952","10.57","0.03","10.57","0.03","10.57","0.03","90","","90","","90","","1180.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Thallium(III) oxide","Avicennite","- O3 Tl2 -","- O3 Tl2 -","- O48 Tl32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen A B O3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011264","9.35","0.02","9.35","0.02","9.35","0.02","90","","90","","90","","817.4","","","","","","","","","","","","from Simpson, Utah, USA","3","I 21 3","I 2b 2c 3","199","","Iron manganese(IV) oxide","Bixbyite C","- Fe Mn O3 -","- Fe Mn O3 -","- Fe16 Mn16 O48 -","16","0.666667","","Zachariasen, W","Ueber die Kristallstruktur von Bixbyit, sowie vom kuenstlichen Mn2 O3.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1928","67","","455","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011281","10.39","","10.39","","10.39","","90","","90","","90","","1121.6","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Lutetium oxide","","- Lu2 O3 -","- Lu2 O3 -","- Lu32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011287","10.86","0.02","10.86","0.02","10.86","0.02","90","","90","","90","","1280.8","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Europium oxide","","- Eu2 O3 -","- Eu2 O3 -","- Eu32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen A B O3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011288","10.81","0.02","10.81","0.02","10.81","0.02","90","","90","","90","","1263.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Gadolinium oxide","","- Gd2 O3 -","- Gd2 O3 -","- Gd32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen A B O3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011289","10.72","0.02","10.72","0.02","10.72","0.02","90","","90","","90","","1231.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Terbium oxide","","- O3 Tb2 -","- O3 Tb2 -","- O48 Tb32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1503738","17.9117","0.0006","17.9117","0.0006","17.9117","0.0006","90","","90","","90","","5746.6","0.3","150","1","150","1","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C42 H96 Cl8 N6 O2 -","- C42 H96 Cl8 N6 O2 -","- C168 H384 Cl32 N24 O8 -","4","0.166667","","Kim, Hyunwoo; Staikova, Mima; Lough, Alan J.; Chin, Jik","Stereospecific synthesis of alkyl-substituted vicinal diamines from the mother diamine: overcoming the ""intrinsic barrier"" to the diaza-Cope rearrangement reaction.","Organic letters","2009","11","1","157","160","10.1021/ol802496r","","","0.71073","MoKα","","0.0705","0.0468","","","0.1041","0.1177","","","","","","1.022","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1523397","7.167","","7.167","","7.167","","90","","90","","90","","368.139","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","(Ga2.08 Pu2.92)1.6","","- Ga3.328 Pu4.672 -","- Ga3.32 Pu4.68 -","- Ga6.64 Pu9.36 -","2","0.0833333","","Chebotarev, N.T.; Smotritskaya, E.S.; Andrianov, M.A.; Kustyuk, O.E.","Some results of a study of the Pu-Al-Ga phase diagram","Plutonium and other Actinides, Proc. Int. Conf., Baden Baden","1976","1975","","37","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","144012","2020-10-21","18:00:00",""
"1526991","9.9767","","9.9767","","9.9767","","90","","90","","90","","993.026","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","(Li0.51 Mg2.49) N1.83","","- Li0.51 Mg2.49 N1.83 -","- Li0.51 Mg2.49 N1.83 -","- Li8.16 Mg39.84 N29.28 -","16","0.666667","","Yamane, H.; Waseda, Y.; Okabe, T.H.; Ishiyama, O.; Shimada, M.","Ternary nitrides prepared in the (Li3 N)-(Mg3 N2) system at 900 - 1000 K","Journal of Alloys Compd.","2001","319","","124","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","148278","2020-10-21","18:00:00",""
"1527769","8.419","","8.419","","8.419","","90","","90","","90","","596.735","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","K2 Pb2 O3","","- K2 O3 Pb2 -","- K2 O3 Pb2 -","- K8 O12 Pb8 -","4","0.166667","","Martens, K.P.; Hoppe, R.","Zur Kenntnis von K2 Pb2 O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","437","","116","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","149502","2020-10-21","18:00:00",""
"1528807","8.14","","8.14","","8.14","","90","","90","","90","","539.353","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","Hg3 S2 F2","","- F2 Hg3 S2 -","- F2 Hg3 S2 -","- F8 Hg12 S8 -","4","0.166667","","Puff, H.; Heine, D.; Lieck, G.","Quecksilberschwefelfluoride","Naturwissenschaften","1968","55","","298","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","151511","2020-10-21","18:00:00",""
"1534186","8.94","","8.94","","8.94","","90","","90","","90","","714.517","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","Hg3 S2 Cl2","","- Cl2 Hg3 S2 -","- Cl2 Hg3 S2 -","- Cl8 Hg12 S8 -","4","0.166667","","Aurivillius, K.","An X-ray single crystal study of Hg3 S2 Cl2","Arkiv foer Kemi","1967","26","","497","505","","","","","","","","","","","","","","","","","","","","","","has coordinates","160697","2020-10-21","18:00:00",""
"1534529","16.8969","","16.8969","","16.8969","","90","","90","","90","","4824.15","","","","","","","","","","","","","4","I 21 3","I 2b 2c 3","199","","Na8 ((U O2)6 (Te O3)10)","","- Na8 O42 Te10 U6 -","- Na7.98 O42 Te10 U6 -","- Na31.92 O168 Te40 U24 -","4","0.166667","","Almond, P.M.; McKee, M.L.; Albrecht-Schmitt, T.E.","Unusual uranyl tellurites containing (Te2 O6)(4-) ions and three-dimensional networks","Angew. Chem. Int. ed.","2002","41","","3426","3429","","","","","","","","","","","","","","","","","","","","","","has coordinates","161336","2020-10-21","18:00:00",""
"1538504","8.94","","8.94","","8.94","","90","","90","","90","","714.517","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","Hg3 S2 Cl2","","- Cl2 Hg3 S2 -","- Cl2 Hg3 S2 -","- Cl8 Hg12 S8 -","4","0.166667","","Puff, H.; Kuester, J.","Die Kristallstruktur der kubischen Triquecksilberdichalkonium-dihalogenide","Naturwissenschaften","1962","49","","464","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","167094","2020-10-21","18:00:00",""
"1538505","9.06","","9.06","","9.06","","90","","90","","90","","743.677","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","Hg3 Se2 Cl2","","- Cl2 Hg3 Se2 -","- Cl2 Hg3 Se2 -","- Cl8 Hg12 Se8 -","4","0.166667","","Puff, H.; Kuester, J.","Die Kristallstruktur der kubischen Triquecksilber- dichalkonium-dihalogenide","Naturwissenschaften","1962","49","","464","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","167095","2020-10-21","18:00:00",""
"1538506","9.33","","9.33","","9.33","","90","","90","","90","","812.166","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","Hg3 Te2 Cl2","","- Cl2 Hg3 Te2 -","- Cl2 Hg3 Te2 -","- Cl8 Hg12 Te8 -","4","0.166667","","Puff, H.; Kuester, J.","Die Kristallstruktur der kubischen Triquecksilber-dichalkonium-dihalogenide","Naturwissenschaften","1962","49","","464","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","167096","2020-10-21","18:00:00",""
"1538507","9.54","","9.54","","9.54","","90","","90","","90","","868.251","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","Hg3 Te2 Br2","","- Br2 Hg3 Te2 -","- Br2 Hg3 Te2 -","- Br8 Hg12 Te8 -","4","0.166667","","Puff, H.; Kuester, J.","Die Kristallstruktur der kubischen Triquecksilber-dichalkonium-dihalogenide","Naturwissenschaften","1962","49","","464","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","167097","2020-10-21","18:00:00",""
"1542109","10.93","","10.93","","10.93","","90","","90","","90","","1305.75","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Sm2 O3","","- O3 Sm2 -","- O3 Sm2 -","- O48 Sm32 -","16","0.666667","","Zav'yalova, A.A.; Imamov, R.M.; Ragimli, N.A.; Semiletov, S.A.","Electron-diffraction study of the structure of cubic C-Sm2 O3","Kristallografiya","1976","21","","727","729","","","","","","","","","","","","","","","","","","","","","","has coordinates","174092","2020-10-21","18:00:00",""
"1542253","31.4049","0.0006","31.4049","0.0006","31.4049","0.0006","90","","90","","90","","30973.6","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C90.09 H108.55 Cl24.19 N12 O6.18 Pd6 -","- C90.084 H96.168 Cl24.168 N12 O6.17 Pd6 -","- C720.672 H769.344 Cl193.344 N96 O49.36 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0595","","","","0.1548","","","","","","1.089","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542254","31.495","0.0007","31.495","0.0007","31.495","0.0007","90","","90","","90","","31241","1.2","97","","97","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.77 H103.38 Cl21.54 N12 O4.92 Pd6 -","- C88.77 H93.54 Cl21.54 N12 O4.93 Pd6 -","- C710.16 H748.32 Cl172.32 N96 O39.44 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0917","","","","0.2429","","","","","","1.045","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542255","31.3834","0.001","31.3834","0.001","31.3834","0.001","90","","90","","90","","30910.1","1.7","95","","95","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.81 H104.7 Cl21.61 N12 O5.54 Pd6 -","- C88.806 H93.612 Cl21.612 N12 O5.52 Pd6 -","- C710.448 H748.896 Cl172.896 N96 O44.16 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.084","","","","0.2381","","","","","","1.037","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542256","31.4527","0.0016","31.4527","0.0016","31.4527","0.0016","90","","90","","90","","31115","3","100","","100","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.28 H102.34 Cl20.56 N12 O4.89 Pd6 -","- C88.29 H92.58 Cl20.58 N12 O4.8899 Pd6 -","- C706.32 H740.64 Cl164.64 N96 O39.1192 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.094","","","","0.2416","","","","","","1.03","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542257","31.493","0.003","31.493","0.003","31.493","0.003","90","","90","","90","","31235","5","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.82 H106.67 Cl21.63 N12 O6.52 Pd6 -","- C88.818 H93.636 Cl21.636 N12 O6.51 Pd6 -","- C710.544 H749.088 Cl173.088 N96 O52.08 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0829","","","","0.2137","","","","","","1.047","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542259","31.3922","0.0006","31.3922","0.0006","31.3922","0.0006","90","","90","","90","","30936.1","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.53 H106.99 Cl21.07 N12 O6.96 Pd6 -","- C88.53 H93.06 Cl21.06 N12 O6.97 Pd6 -","- C708.24 H744.48 Cl168.48 N96 O55.76 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0961","","","","0.2535","","","","","","1.024","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542260","31.3469","0.0008","31.3469","0.0008","31.3469","0.0008","90","","90","","90","","30802.3","1.4","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.34 H103.54 Cl20.68 N12 O5.43 Pd6 -","- C88.338 H92.676 Cl20.676 N12 O5.4299 Pd6 -","- C706.704 H741.408 Cl165.408 N96 O43.4392 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0799","","","","0.212","","","","","","1.073","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542261","31.4043","0.0006","31.4043","0.0006","31.4043","0.0006","90","","90","","90","","30971.9","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.49 H103.18 Cl20.98 N12 O5.1 Pd6 -","- C88.488 H92.976 Cl20.976 N12 O5.0998 Pd6 -","- C707.904 H743.808 Cl167.808 N96 O40.7984 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0835","","","","0.2102","","","","","","1.016","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542262","31.4477","0.0006","31.4477","0.0006","31.4477","0.0006","90","","90","","90","","31100.4","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.52 H103.31 Cl21.04 N12 O5.14 Pd6 -","- C88.518 H93.036 Cl21.036 N12 O5.1299 Pd6 -","- C708.144 H744.288 Cl168.288 N96 O41.0392 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0758","","","","0.1999","","","","","","1.07","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1558863","41.171","0.005","41.171","0.005","41.171","0.005","90","","90","","90","","69787","15","100","2","100","2","","","","","","","","8","I 21 3","I 2b 2c 3","199","","","","- C30 H54 Au3 Co2 N6 Na3.33 O45 S6 -","- C30 H54 Au3 Co2 N6 Na3.33333 O43 S6 -","- C360 H648 Au36 Co24 N72 Na40 O516 S72 -","12","0.5","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","","synchrotron","","0.1915","0.097","","","0.2577","0.3054","","","","","","0.885","","","","has coordinates,has disorder","255413","2020-10-21","18:00:00",""
"1558864","41.407","0.003","41.407","0.003","41.407","0.003","90","","90","","90","","70994","9","100","2","100","2","","","","","","","","8","I 21 3","I 2b 2c 3","199","","","","- C30 H54 Au3 Co2 N6 Na3.33 O45 S6 -","- C30 H54 Au3 Co2 N6 Na3.33333 O45 S6 -","- C360 H648 Au36 Co24 N72 Na40 O540 S72 -","12","0.5","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","0.4248","synchrotron","","0.0907","0.0479","","","0.0941","0.1093","","","","","","0.923","","","","has coordinates","255413","2020-10-21","18:00:00",""
"1570660","4.60193","","4.60193","","4.60193","","90","","90","","90","","97.459","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- C3 N O -","- C3 N O -","- C24 N8 O8 -","8","0.333333","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570675","4.09382","","4.09382","","4.09382","","90","","90","","90","","68.61","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","","","- C3 O -","- C3 O -","- C48 O16 -","16","0.666667","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"2002342","9.9705","0.0003","9.9705","0.0003","9.9705","0.0003","90","","90","","90","","991.2","","","","","","","","","","","","","4","I 21 3","I 2b 2c 3","199","","Tribarium diiron(III) pentaoxide dichloride","","- Ba3 Cl2 Fe2 O5 -","- Ba3 Cl2 Fe2 O5 -","- Ba12 Cl8 Fe8 O20 -","4","0.166667","","Leib, W; Mueller-Buschbaum, Hk","Ein neuer Bautyp der Oxohalogenferrate: Ba3 Fe2 O5 Cl2 und Ba3 Fe2 O5 Br2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1985","521","","51","56","10.1002/zaac.19855210207","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002343","10.0039","0.0008","10.0039","0.0008","10.0039","0.0008","90","","90","","90","","1001.2","","","","","","","","","","","","","4","I 21 3","I 2b 2c 3","199","","Tribarium diiron(III) pentaoxide bromide","","- Ba3 Br2 Fe2 O5 -","- Ba3 Br2 Fe2 O5 -","- Ba12 Br8 Fe8 O20 -","4","0.166667","","Leib, W; Mueller-Buschbaum, Hk","Ein neuer Bautyp der Oxohalogenferrate: Ba3 Fe2 O5 Cl2 und Ba3 Fe2 O5 Br2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1985","521","","51","56","10.1002/zaac.19855210207","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2107258","10.12","","10.12","","10.12","","90","","90","","90","","1036.43","","","","","","","","","","","","","4","I 21 3","I 2b 2c 3","199","","(H3 O) (Sb F6)","","- F6 H3 O Sb -","- F6 H3 O Sb -","- F48 H24 O8 Sb8 -","8","0.333333","","Larson, E.M.; Larson, A.C.; Abney, K.D.; Eller, P.G.","Structure of oxonium hexafluoroantimonate(V)","Acta Crystallographica B (39,1983-)","1991","47","","206","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310270","6.3557","","6.3557","","6.3557","","90","","90","","90","","256.738","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","","","- Co U -","- Co U -","- Co8 U8 -","8","0.333333","","Baenziger, N.C.; Rundle, R.E.; Snow, A.I.; Wilson, A.S.","Compounds of uranium with the transition metals of the first long period","Acta Crystallographica (1,1948-23,1967)","1950","3","","34","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4034165","33.5971","0.0016","33.5971","0.0016","33.5971","0.0016","90","","90","","90","","37923","3","150","0.1","150","0.1","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- C56 H58 O13 -","- C56 H58 O13 -","- C1344 H1392 O312 -","24","1","","Baydoun, Orsola; De Rycke, Nicolas; Léonce, Estelle; Boutin, Céline; Berthault, Patrick; Jeanneau, Erwann; Brotin, Thierry","Synthesis of Cryptophane-223-Type Derivatives with Dual Functionalization.","The Journal of organic chemistry","2019","84","14","9127","9137","10.1021/acs.joc.9b01093","","x-ray","1.54184","CuKα","","0.1103","0.0778","","0.1891","0.1422","0.1891","","","","","","0.9952","","","","has coordinates","222715","2020-10-21","18:00:00",""
"4107450","28.7957","0.0006","28.7957","0.0006","28.7957","0.0006","90","","90","","90","","23877.2","0.9","160","1","160","1","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C73.33 H62.67 Cl2 O5.33 Rh2 S4 -","- C68 H52 Cl2 O4 Rh2 S4 -","- C816 H624 Cl24 O48 Rh24 S48 -","12","0.5","","Ronaldo Mariz; Xinjun Luan; Michele Gatti; Anthony Linden; Reto Dorta","A Chiral Bis-Sulfoxide Ligand in Late-Transition Metal Catalysis; Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to Electron-Deficient Olefins","Journal of the American Chemical Society","2008","130","","2172","2173","10.1021/ja710665q","","","0.71073","MoKα","","0.0527","0.0424","","","0.1065","0.1117","","","","","","1.041","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4120589","28.867","0.0001","28.867","0.0001","28.867","0.0001","90","","90","","90","","24055","0.14","123","2","123","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C48 H27 N0 O16 Zn4 -","- C48 H27 O16 Zn4 -","- C384 H216 O128 Zn32 -","8","0.333333","","Mo, Ke; Yang, Yuhua; Cui, Yong","A homochiral metal-organic framework as an effective asymmetric catalyst for cyanohydrin synthesis.","Journal of the American Chemical Society","2014","136","5","1746","1749","10.1021/ja411887c","","","1.54178","CuKα","","0.0955","0.0855","","","0.2286","0.2381","","","","","","1.072","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4123367","22.61","0.0005","22.61","0.0005","22.61","0.0005","90","","90","","90","","11558.5","0.4","130","2","130","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","brines06","brines06","","- C24 H42 F6 Fe2 N8 O9 S2 -","- C24 H42 F6 Fe2 N8 O9 S2 -","- C288 H504 F72 Fe24 N96 O108 S24 -","12","0.5","","Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.; Kovacs, Julie A.","Water-Soluble Fe(II)-H2O Complex with a Weak O-H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH.","Journal of the American Chemical Society","2015","137","6","2253","2264","10.1021/ja5068405","","","0.71073","MoKα","","0.0925","0.0521","","","0.1192","0.1399","","","","","","1.016","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123963","13.8527","","13.8527","","13.8527","","90","","90","","90","","2658.3","","","","","","","","","","","","","5","I 21 3","I 2b 2c 3","199","","(N H4) (Zn (H2 O)) (Zn As O4)3","","- As3 H6 N O13 Zn4 -","- As3 N O13 Zn4 -","- As24 N8 O104 Zn32 -","8","0.333333","","Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui","Arsenate zeolite analogues with 11 topological types","Journal of the American Chemical Society","2001","123","","8608","8609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4125032","35.755","0.004","35.755","0.004","35.755","0.004","90","","90","","90","","45710","9","293","2","293","2","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- C60 O13 Zn4 -","- C60 O13 Zn4 -","- C480 O104 Zn32 -","8","0.333333","","Zhang, Qiongqiong; Zhang, Cankun; Cao, Lingyun; Wang, Zi; An, Bing; Lin, Zekai; Huang, Ruiyun; Zhang, Zhiming; Wang, Cheng; Lin, Wenbin","Förster Energy Transport in Metal-Organic Frameworks Is Beyond Step-by-Step Hopping.","Journal of the American Chemical Society","2016","138","16","5308","5315","10.1021/jacs.6b01345","","","0.41328","","","0.0625","0.0605","","","0.1506","0.1534","","","","","","1.353","","","","has coordinates","182501","2020-10-21","18:00:00",""
"4126200","61.483","0.007","61.483","0.007","61.483","0.007","90","","90","","90","","232416","5","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C660 H570 Eu10 N90 O60 -","- C660 H570 Eu10 N90 O60 -","- C5280 H4560 Eu80 N720 O480 -","8","0.333333","","Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu","Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes.","Journal of the American Chemical Society","2017","139","24","8237","8244","10.1021/jacs.7b02764","","","1","Synchrotron","","0.1349","0.1308","","","0.3287","0.3421","","","","","","1.906","","","","has coordinates","200659","2020-10-21","18:00:00",""
"4300682","10.6794","0.001","10.6794","0.001","10.6794","0.001","90","","90","","90","","1218","0.2","293","2","293","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","","","","- B H10 Li4 N3 -","- B H10 Li4 N3 -","- B8 H80 Li32 N24 -","8","0.333333","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0518226","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300683","10.6723","0.001","10.6723","0.001","10.6723","0.001","90","","90","","90","","1215.6","0.2","293","2","293","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","","","","- B H10 Li4 N3 -","- B H10 Li4 N3 -","- B8 H80 Li32 N24 -","8","0.333333","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0518226","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305967","27.046","0.002","27.046","0.002","27.046","0.002","90","","90","","90","","19784","3","298","","298","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C162 H222 Cl Co2 K3 O30 -","- C162 H168 Cl1.00006 Co2 K3 O30 -","- C648 H672 Cl4.00024 Co8 K12 O120 -","4","0.166667","","Yu-Juan Liu; Jie-Sheng Huang; Stephen Sin-Yin Chui; Cheng-Hui Li; Jing-Lin Zuo; Nianyong Zhu; Chi-Ming Che","A Noncentrosymmetric 3D Coordination Polymer of Metallocalix[4]arene","Inorganic Chemistry","2008","47","","11514","11518","10.1021/ic8008859","","","0.71073","MoKα","","0.2853","0.0737","","","0.0891","0.1009","","","","","","0.949","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4305968","27.083","0.005","27.083","0.005","27.083","0.005","90","","90","","90","","19865","6","298","","298","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C162 H222 Cl Co2 O30 Rb3 -","- C162 H168 Cl1.00006 Co2 O30 Rb3 -","- C648 H672 Cl4.00024 Co8 O120 Rb12 -","4","0.166667","","Yu-Juan Liu; Jie-Sheng Huang; Stephen Sin-Yin Chui; Cheng-Hui Li; Jing-Lin Zuo; Nianyong Zhu; Chi-Ming Che","A Noncentrosymmetric 3D Coordination Polymer of Metallocalix[4]arene","Inorganic Chemistry","2008","47","","11514","11518","10.1021/ic8008859","","","0.71073","MoKα","","0.1962","0.0685","","","0.138","0.1489","","","","","","1.107","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4334095","9.0327","0.001","9.0327","0.001","9.0327","0.001","90","","90","","90","","736.98","0.14","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H3 Co Na O6 -","- C3 H3 Co Na O6 -","- C12 H12 Co4 Na4 O24 -","4","0.166667","","Jiong-Peng Zhao; Song-De Han; Ran Zhao; Qian Yang; Ze Chang; Xian-He Bu","Tuning the Structure and Magnetism of Heterometallic Sodium(1+)-Cobalt(2+) Formate Coordination Polymers by Varying the Metal Ratio and Solvents","Inorganic Chemistry","2013","52","","2862","2869","10.1021/ic301936k","","","0.71073","MoKα","","0.0135","0.0133","","","0.0346","0.0346","","","","","","1.211","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4345863","23.964","0.003","23.964","0.003","23.964","0.003","90","","90","","90","","13762","3","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C75 Mn2 N12 O45 Tb8 -","- C75 Mn2 N12 O45 Tb8 -","- C300 Mn8 N48 O180 Tb32 -","4","0.166667","","Dong, Jie; Xu, Hang; Hou, Sheng-Li; Wu, Zhi-Lei; Zhao, Bin","Metal‒Organic Frameworks with Tb4 Clusters as Nodes: Luminescent Detection of Chromium(VI) and Chemical Fixation of CO2","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00323","","","0.71073","MoKα","","0.1024","0.1002","","","0.2682","0.272","","","","","","1.21","","","","has coordinates,has disorder","196559","2020-10-21","18:00:00",""
"5910020","10.85","","10.85","","10.85","","90","","90","","90","","1277.29","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","","","- O3 Sm2 -","- O48 Sm32 -","- O48 Sm32 -","","","","Wyckoff, R. W. G.","Page 254 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & www.crystallography.net","The second edition of Structure of Crystals","1931","","","254","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","201983","2020-10-21","18:00:00",""
"7018474","17.1078","0.0009","17.1078","0.0009","17.1078","0.0009","90","","90","","90","","5007.1","0.5","180","2","180","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","PCM-14 (180 K)","","","- C22 H25 Ca O11 P -","- C22 H21 Ca O11 P -","- C176 H168 Ca8 O88 P8 -","8","0.333333","","Ibarra, Ilich A.; Tan, Kristina E.; Lynch, Vincent M.; Humphrey, Simon M.","CO(2) adsorption properties of a Ca(ii)-based organophosphonium coordination material.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3920","3923","10.1039/c2dt12011a","","","0.71073","MoKα","","0.0909","0.0555","","","0.1163","0.1352","","","","","","1.031","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018475","17.124","0.002","17.124","0.002","17.124","0.002","90","","90","","90","","5021.3","1","375","2","375","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","PCM-14 (375 K)","","","- C22 H24 Ca O10.5 P -","- C22 H21 Ca O10.5 P -","- C176 H168 Ca8 O84 P8 -","8","0.333333","","Ibarra, Ilich A.; Tan, Kristina E.; Lynch, Vincent M.; Humphrey, Simon M.","CO(2) adsorption properties of a Ca(ii)-based organophosphonium coordination material.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3920","3923","10.1039/c2dt12011a","","","0.71073","MoKα","","0.1065","0.0594","","","0.143","0.1597","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7037542","18.6836","0.0009","18.6836","0.0009","18.6836","0.0009","90","","90","","90","","6522","0.5","153","2","153","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C24 H59 Ge3 In6 N4 O5.5 S17 -","- Ge3 In6 S17 -","- Ge12 In24 S68 -","4","0.166667","","Han, Xiaohui; Wang, Zhenqing; Xu, Jin; Liu, Dan; Wang, Cheng","A crown-like heterometallic unit as the building block for a 3D In-Ge-S framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19768","19771","10.1039/c5dt03556b","","","0.71073","MoKα","","0.0415","0.032","","","0.0509","0.053","","","","","","0.948","","","","has coordinates","170863","2020-10-21","18:00:00",""
"7043533","38.0572","0.0004","38.0572","0.0004","38.0572","0.0004","90","","90","","90","","55120.2","1","173","2","173","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","","","","- C52 H55 O5 P -","- C52 H55 O5 P -","- C2496 H2640 O240 P48 -","48","2","","Elaieb, Fethi; Sémeril, David; Matt, Dominique; Pfeffer, Michel; Bouit, Pierre-Antoine; Hissler, Muriel; Gourlaouen, Christophe; Harrowfield, Jack","Calix[4]arene-fused phospholes","Dalton Trans.","2017","","","","","10.1039/C7DT01899A","","","1.54178","CuKα","","0.0566","0.0482","","","0.1228","0.1279","","","","","","1.046","","","","has coordinates,has disorder","198571","2020-10-21","18:00:00",""
"7101189","10.66445","0.00001","10.66445","0.00001","10.66445","0.00001","90","","90","","90","","1212.88","0.003","","","293","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","Li4BH4(NH2)3","Li4BH4(NH2)3","","- B H10 Li4 N3 -","- B H10 Li4 N3 -","- B8 H80 Li32 N24 -","8","0.333333","","P.A.Chater; W.I.F.David; S.R.Johnson; P.P.Edwards; P.A.Anderson","Synthesis and Crystal Structure of Li4BH4(NH2)3","Chemical Communications","2006","","23","","","10.1039/b518243c","","x-ray","0.80022","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101190","10.6738","0.0002","10.6738","0.0002","10.6738","0.0002","90","","90","","90","","1216.05","0.09","","","293","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","Li4BH4(NH2)3","Li4BH4(NH2)3","","- B H10 Li4 N3 -","- B H10 Li4 N3 -","- B8 H80 Li32 N24 -","8","0.333333","","P.A.Chater; W.I.F.David; S.R.Johnson; P.P.Edwards; P.A.Anderson","Synthesis and Crystal Structure of Li4BH4(NH2)3","Chemical Communications","2006","","23","","","10.1039/b518243c","","x-ray","0.80022","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101299","23.8747","0.0006","23.8747","0.0006","23.8747","0.0006","90","","90","","90","","13608.6","0.6","173","2","173","2","","","","","","","","9","I 21 3","I 2b 2c 3","199","","","","- C98 H62 Ag3 B3 Br6 Cl6 F12 N6 O15 -","- C98 H54 Ag3 B3 Br6 Cl6.02 F12 N6 O15 -","- C392 H216 Ag12 B12 Br24 Cl24.08 F48 N24 O60 -","4","0.166667","","Mir Wais Hosseini; Philippe Grosshans; Abdelaziz Jouaiti; Nathalie Kyritsakas; Jean-Marc Planeix","Orthogonal packing of enantiomerically pure helical silver coordination networks","Chemical Communications","2006","","29","","","10.1039/b605166a","","","0.71073","MoKα","","0.1585","0.1012","","","0.2579","0.2628","","","","","","1.095","","","","has coordinates","203911","2020-10-21","18:00:00",""
"7104067","8.4135","0.0008","8.4135","0.0008","8.4135","0.0008","90","","90","","90","","595.57","0.1","146","2","146","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","","","","- Cl Cu H3 N -","- Cl Cu H3 N -","- Cl8 Cu8 H24 N8 -","8","0.333333","","Wagner Matthias; Jan W. Bats; Michael Bolte; Hans-Wolfram Lerner; Gunter Margraf","One- and three-dimensional infinite arrays of Cu(I) centres exhibited by [Cu(NH3)2]Br and [Cu(NH3)Cl] in the solid state.","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b212517j","","","0.71073","MoKα","","0.0217","0.0194","","","0.0411","0.042","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110105","13.4484","0.0002","13.4484","0.0002","13.4484","0.0002","90","","90","","90","","2432.27","0.06","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H6 Er2 O10.5 P3 -","- C3 Er2 O10.5 P3 -","- C24 Er16 O84 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0374","0.0351","","","0.0834","0.0844","","","","","","1.2","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110106","13.5171","0.0002","13.5171","0.0002","13.5171","0.0002","90","","90","","90","","2469.74","0.06","180","2","180","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C H2.33 O6.67 P2 Y1.33 -","- C H2.32 O6.66667 P2 Y1.33333 -","- C12 H27.84 O80 P24 Y16 -","12","0.5","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0555","0.0462","","","0.1214","0.1264","","","","","","1.101","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110107","13.4618","0.0002","13.4618","0.0002","13.4618","0.0002","90","","90","","90","","2439.55","0.06","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 Er2 O11.5 P3 -","- C3 Er2 O11.5 P3 -","- C24 Er16 O92 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0298","0.0278","","","0.0677","0.0683","","","","","","1.143","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110108","13.4291","0.0003","13.4291","0.0003","13.4291","0.0003","90","","90","","90","","2421.81","0.09","150","2","150","2","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- Er2 O10.5 P3 -","- Er2 O10.5 P3 -","- Er16 O84 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0263","0.0242","","","0.0597","0.0605","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110109","13.4315","0.0001","13.4315","0.0001","13.4315","0.0001","90","","90","","90","","2423.11","0.03","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C1.5 H1.5 Er2 O9 P3 -","- C1.5 H1.5 Er2 O9 P3 -","- C12 H12 Er16 O72 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0257","0.0252","","","0.0777","0.0779","","","","","","1.215","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110110","13.4154","0.0002","13.4154","0.0002","13.4154","0.0002","90","","90","","90","","2414.41","0.06","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C H3 Er2 O11.5 P3 -","- C0.99 H2.97 Er2 O11.5 P3 -","- C7.92 H23.76 Er16 O92 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0828","0.0402","","","0.0838","0.1034","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110111","13.5416","0.0002","13.5416","0.0002","13.5416","0.0002","90","","90","","90","","2483.19","0.06","100","2","100","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 Dy2 O11.5 P3 -","- C3 Dy2 O11.5 P3 -","- C24 Dy16 O92 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0298","0.0273","","","0.064","0.0649","","","","","","1.112","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110112","13.6178","0.0001","13.6178","0.0001","13.6178","0.0001","90","","90","","90","","2525.35","0.03","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 O11.5 P3 Tb2 -","- C3 O11.5 P3 Tb2 -","- C24 O92 P24 Tb16 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0319","0.0244","","","0.0531","0.0555","","","","","","1.128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110113","13.4853","0.0002","13.4853","0.0002","13.4853","0.0002","90","","90","","90","","2452.35","0.06","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 O11.5 P3 Y2 -","- C3 O11.5 P3 Y2 -","- C24 O92 P24 Y16 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0306","0.0264","","","0.062","0.0628","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110114","13.52","0.0001","13.52","0.0001","13.52","0.0001","90","","90","","90","","2471.33","0.03","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 Er2 O11.5 P3 -","- C3 Er2 O11.5 P3 -","- C24 Er16 O92 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0349","0.0318","","","0.0808","0.0821","","","","","","1.159","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110115","13.3727","0.0004","13.3727","0.0004","13.3727","0.0004","90","","90","","90","","2391.43","0.12","180","2","180","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","","","","- H2 O11.5 P3 Y2 -","- O11.5 P3 Y2 -","- O92 P24 Y16 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.1021","0.0792","","","0.1941","0.2129","","","","","","1.119","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110116","13.533","0.0004","13.533","0.0004","13.533","0.0004","90","","90","","90","","2478.46","0.13","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 Ho2 O11.5 P3 -","- C3 Ho2 O10.83 P3 -","- C24 Ho16 O86.64 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.073","0.0513","","","0.1022","0.1148","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110421","36.533","0.005","36.533","0.005","36.533","0.005","90","","90","","90","","48759","12","200","2","200","2","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C109.5 H116.25 Cu3 F18 N12.75 P3 -","- C219 H232.5 Cu6 F36 N25.5 P6 -","- C1752 H1860 Cu48 F288 N204 P48 -","8","0.333333","","Constable, Edwin C.; Housecroft, Catherine E.; Kulke, Torsten; Baum, Gerhard; Fenske, Dieter","Chiral 1,2-ethanediyl-spaced quaterpyridines give a library of cyclic and double helicates with copper(I)","Chemical Communications","1999","","2","195","","10.1039/a809230c","","","0.71073","MoKα","","0.2037","0.1098","","","0.2474","0.273","","","","","","1.144","","","","has coordinates,has disorder","288538","2023-12-24","00:34:33",""
"7128637","8.4111","0.0016","8.4111","0.0016","8.4111","0.0016","90","","90","","90","","595.1","0.2","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- Bi2 Pt3 S2 -","- Bi2 Pt3 S2 -","- Bi8 Pt12 S8 -","4","0.166667","","Fang, Yuqiang; Wang, Sishun; Lin, Gaoxin; Wang, Xin; Huang, Fuqiang","A new compound Pt<sub>3</sub>Bi<sub>2</sub>S<sub>2</sub> with superior performance for the hydrogen evolution reaction.","Chemical communications (Cambridge, England)","2021","57","64","7946","7949","10.1039/d1cc02741g","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","268528","2021-09-06","09:09:07",""
"7222107","15.9547","0.0008","15.9547","0.0008","15.9547","0.0008","90","","90","","90","","4061.3","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Dy2 O23 P6 -","- C21 H33.9996 Dy2 O23 P6 -","- C84 H135.998 Dy8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0298","0.0243","","","0.0473","0.049","","","","","","1.057","","","","has coordinates,has disorder","171092","2020-10-21","18:00:00",""
"7222108","16.0668","0.0009","16.0668","0.0009","16.0668","0.0009","90","","90","","90","","4147.5","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Eu2 O23 P6 -","- C21 H33.9996 Eu2 O23 P6 -","- C84 H135.998 Eu8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.042","0.0351","","","0.0698","0.0731","","","","","","1.007","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222109","16.0416","0.0009","16.0416","0.0009","16.0416","0.0009","90","","90","","90","","4128","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Gd2 O23 P6 -","- C21 H33.9996 Gd2 O23 P6 -","- C84 H135.998 Gd8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0374","0.0279","","","0.0559","0.0595","","","","","","1.039","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222110","16.0134","0.0011","16.0134","0.0011","16.0134","0.0011","90","","90","","90","","4106.3","0.5","297","2","297","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 O23 P6 Tb2 -","- C21 H33.9996 O23 P6 Tb2 -","- C84 H135.998 O92 P24 Tb8 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0438","0.0348","","","0.0782","0.0868","","","","","","1.103","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7223002","22.9931","0.0002","22.9931","0.0002","22.9931","0.0002","90","","90","","90","","12156","0.18","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Cd2 I17 N12 O15 -","- C72 H48 Ag14 Cd2 I17 N12 -","- C288 H192 Ag56 Cd8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1121","0.082","","","0.2293","0.2676","","","","","","1.077","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223004","22.8119","0.0003","22.8119","0.0003","22.8119","0.0003","90","","90","","90","","11870.9","0.3","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Co2 I17 N12 O15 -","- C72 H48 Ag14 Co2 I17 N12 -","- C288 H192 Ag56 Co8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1064","0.074","","","0.2075","0.2366","","","","","","1.103","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7234946","14.3757","0.0017","14.3757","0.0017","14.3757","0.0017","90","","90","","90","","2970.9","0.6","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C24 H9 N3 O18 Sc2 -","- C24 H9 N3 O18 Sc2 -","- C96 H36 N12 O72 Sc8 -","4","0.166667","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0439","0.0395","","","0.1115","0.1142","","","","","","1.129","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7707495","35.753","0.003","35.753","0.003","35.753","0.003","90","","90","","90","","45702","7","298","","298","","","","","","","","","6","I 21 3","I 2b 2c 3","199","R-FeNb","","","- C64 H38 Fe2 Mo N16 O12 -","- C64 Fe2 N16 Nb O12 -","- C1536 Fe48 N384 Nb24 O288 -","24","1","","Kawabata, Shintaro; Nakabayashi, Koji; Imoto, Kenta; Klimke, Stephen; Renz, Franz; Ohkoshi, Shin-Ichi","Second harmonic generation on chiral cyanido-bridged Fe<sup>II</sup>-Nb<sup>IV</sup> spin-crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8524","8532","10.1039/d1dt01324f","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.6767","","","","","","","has coordinates","267140","2021-07-05","17:27:47",""
"7707497","35.709","0.004","35.709","0.004","35.709","0.004","90","","90","","90","","45534","9","298","","298","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C64 H38 Fe2 Mo N16 O12 -","- C64 Fe2 N16 Nb O12 -","- C1536 Fe48 N384 Nb24 O288 -","24","1","","Kawabata, Shintaro; Nakabayashi, Koji; Imoto, Kenta; Klimke, Stephen; Renz, Franz; Ohkoshi, Shin-Ichi","Second harmonic generation on chiral cyanido-bridged Fe<sup>II</sup>-Nb<sup>IV</sup> spin-crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8524","8532","10.1039/d1dt01324f","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.3312","","","","","","","has coordinates","267140","2021-07-05","17:27:48",""
"7715128","23.803","0.005","23.803","0.005","23.803","0.005","90","","90","","90","","13486","5","150","2","150","2","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C64 H108 N4 Na O6 Ti4 -","- C63.9996 H107.999 N4 Na O6 Ti4 -","- C511.997 H863.995 N32 Na8 O48 Ti32 -","8","0.333333","","Caballo, Jorge; Calvo-Molina, Adrián; Claramonte, Sergio; Greño, Maider; Pérez-Redondo, Adrián; Yélamos, Carlos","Studies on the chemical reduction of polynuclear titanium(IV) nitrido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4844","4855","10.1039/d3dt04241c","","x-ray","0.71073","MoKα","","0.0578","0.0446","","","0.0972","0.1075","","","","","","1.081","","","","has coordinates,has disorder","290921","2024-04-04","23:20:36",""
"9011080","8.949","","8.949","","8.949","","90","","90","","90","","716.677","","","","","","","","","","","","Synthetic","3","I 21 3","I 2b 2c 3","199","","","Corderoite","- Cl2 Hg3 S2 -","- Cl2 Hg3 S2 -","- Cl8 Hg12 S8 -","4","0.166667","","Frueh, A. J.; Gray, N.","Confirmation and refinement of the structure of Hg3S2Cl2","Acta Crystallographica, Section B","1968","24","","156","157","10.1107/S0567740868001858","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011911","12.864","","12.864","","12.864","","90","","90","","90","","2128.77","","","","","","","","","","","","China","6","I 21 3","I 2b 2c 3","199","","","Hsianghualite","- Be3 Ca3 F2 Li2 O12 Si3 -","- Be3 Ca3 F2 Li2 O12 Si3 -","- Be24 Ca24 F16 Li16 O96 Si24 -","8","0.333333","","Rastsvetaeva, R. K.; Rekhlova, O. Y.; Andrianov, V. I.; Malinovskii, Y. A.","Crystal structure of hsianghualite","Soviet Physics Doklady","1991","36","","11","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012245","13.456","","13.456","","13.456","","90","","90","","90","","2436.4","","","","","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- Ga H8 N2 O12 P3 Zn2 -","- Ga0.99999 H8 N2 O12 P3 Zn2.00001 -","- Ga7.99992 H64 N16 O96 P24 Zn16.0001 -","8","0.333333","","Logar, N. Z.; Mrak, M.; Kaucic, V.","Syntheses and structures of two ammonium zinc gallophosphates: analcime and paracelsian analogs Sample: analcime analog Note: changed O1(x,y) and O3(x,y,z) to match reported bond distances","Journal of Solid State Chemistry","2001","156","","480","486","10.1006/jssc.2000.9027","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""