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search3
Fri Jan 29 12:13:32 2021
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Summary of queries used. Search found structures that:

match

Query 1 Query 2

H
H

H
H

H O C
C O
C H
C N

H
Query 1 H
H H
H C

C
H H

Elements Cu
Query 2 Search on: Sum of molecules
Allow other elements: Yes

Page 1
Search: search3 (Fri Jan 29 12:13:32 2021): Hits 1-4
XUBMAL AVUHUU
Reference: Y.Kondratenko, A.A.Zolotarev, I.Ignatyev, V.Ugolkov, Reference: I.Ucar, O.Z.Yesilel, A.Bulut, H.Icbudak, H.Olmez, C.Kazak
T.Kochina (2020) Transition Met.Chem. ,45,71 (2004) Acta Crystallogr.,Sect.E:Struct.Rep.Online ,60,m322

Formula: C12 H30 Cu1 N2 O6 2+,C4 H4 O4 2- Formula: C12 H30 Cu1 N2 O6 2+,C4 O4 2-

Compound Name: bis[2,2',2''-(nitrilo)tris(ethan-1-ol)]-copper(ii) butanedioato Compound Name: bis(Triethanolamine-N,O,O')-copper(ii) squarate

Space Group: P-1 Cell: a 7.539(0) b 8.446(0) c 8.991(0) Space Group: P21/c Cell: a 8.145(5) b 13.634(5) c 9.082(5)
Space Group No.: 2 (Å,°) α 79.60(0) β 67.69(0) γ 75.34(0) Space Group No.: 14 (Å,°) α 90.00 β 101.21(0) γ 90.00

OH

N
-
OH HO OOC
OH OH
OH OH
-
2+
O O
2+ Cu
N Cu N -
OOC
OH OH

OH OH

-
O O
HO

AWIFOB CAMJUV
Reference: V.T.Yilmaz, E.Senel, C.Thone (2004) Reference: I.Krabbes, W.Seichter, T.Breuning, P.Otschik, K.Gloe
Transition Met.Chem. ,29,336 (1999) Z.Anorg.Allg.Chem. ,625,1562

Formula: H2 O1,C9 H17 Cu1 N1 O7 Formula: C12 H30 Cu1 N2 O6 2+,2(C2 H3 O2 1-)

Compound Name: (Malonato-O,O')-(triethanolamine-N,O,O',O'')-copper(ii) monohydrate Compound Name: bis(Triethanolamine-N,O,O')-copper(ii) diacetate

Space Group: P212121 Cell: a 7.071(0) b 10.266(0) c 18.372(1) Space Group: P21/c Cell: a 9.101(3) b 13.136(4) c 9.819(3)
Space Group No.: 19 (Å,°) α 90.00 β 90.00 γ 90.00 Space Group No.: 14 (Å,°) α 90.00 β 111.63(2) γ 90.00

OH

O OH

O
N

Cu N OH OH

2+
O Cu

OH OH
O OH OH

-
H3C COO
H2O

OH

Page 2
Search: search3 (Fri Jan 29 12:13:32 2021): Hits 5-8
CIRFAM CUPCOF01
Reference: Qiao Gao, Fengyan Li, Yuchao Wang, Lin Xu, Jie Bai, Reference: L.A.Kovbasyuk, O.Yu.Vassilyeva, V.N.Kokozay,
Ya Wang (2014) Dalton Trans. ,43,941 Hyungphil Chun, I.Bernal, J.Reedijk, G.Van Albada, B.W.Skelton
(2001) Crystal Engineering ,4,201
Formula: C24 H58 Cu2 Mo12 N4 O56 V2 4-,2(C6 H16 N1 O3 1+),2(H4 N1 1+),10(H2 O1)
Formula: C6 H15 Cl1 Cu1 N1 O3
Compound Name: bis(tris(2-hydroxyethyl)ammonium) diammonium bis(µ-2,2',2''-
nitrilotriethanolato)-icosakis(µ-oxo)-bis(µ-hydroxo)-bis(2,2',2''- Compound Name: Chloro-(tris(2-hydroxyethyl)amine-N,O,O',O'')-copper(i)
nitrilotriethanol)-docosaoxo-di-copper(ii)-di-vanadium(v)-dodeca-
molybdenum(vi) decahydrate
Space Group: P-3 Cell: a 8.144(2) b 8.144(2) c 8.225(1)
Space Group No.: 147 (Å,°) α 90.00 β 90.00 γ 120.00
Space Group: P-1 Cell: a 13.639(1) b 13.854(1) c 14.535(2)
Space Group No.: 2 (Å,°) α 96.72(0) β 99.35(0) γ 117.12(0)

OH

Mo12V2Cu2[µ6-C6H13NO3]2[µ3-O]6[µ2-HO]2--
--[µ2-O]14--
N
--[C6H15NO3-κ1N,κ3O,O',O'']2[O]224-

OH OH

HO
HO
Cu
+
NH +
NH4 H2O

OH

Cl

DOVBUN DOVCAU
Reference: S.K.Langley, B.Moubaraki, C.Tomasi, M.Evangelisti, Reference: S.K.Langley, B.Moubaraki, C.Tomasi, M.Evangelisti,
E.K.Brechin, K.S.Murray (2014) Inorg.Chem. ,53,13154 E.K.Brechin, K.S.Murray (2014) Inorg.Chem. ,53,13154

Formula: C69 H114 Cu2 Gd7 N4 O40 5+,6(H2 O1),5(Cl1 1-) Formula: C68 H112 Cu2 N4 O40 Tb7 5+,6(H2 O1),5(Cl1 1-)

Compound Name: tetrakis(µ-benzoato)-decakis(µ-hydroxo)-bis(µ-2,2'-[(2-hydroxyethyl) Compound Name: tetrakis(µ-benzoato)-decakis(µ-hydroxo)-bis(µ-2,2'-[(2-hydroxyethyl)

imino]diethanolato)-triaqua-bis(benzoato)-tris(methanol)- imino]diethanolato)-tetraaqua-bis(benzoato)-bis(methanol)-
bis(triethanolamine)-di-copper(ii)-hepta-gadolinium(iii) pentachloride bis(triethanolamine)-di-copper(ii)-hepta-terbium(iii) pentachloride
hexahydrate hexahydrate

Space Group: Pca21 Cell: a 32.100(6) b 11.900(2) c 29.420(6) Space Group: Pca21 Cell: a 32.020(6) b 11.840(2) c 29.390(6)
Space Group No.: 29 (Å,°) α 90.00 β 90.00 γ 90.00 Space Group No.: 29 (Å,°) α 90.00 β 90.00 γ 90.00

Gd7Cu2[µ3-C6H13NO3-κ1N,κ5O,O',O'']2[µ3-HO]10--
--[µ2-CO2Ph-κ2O,O']4--
--[C6H15NO3-κ1N,κ3O,O',O'']2--
--[H2O]3--
--[H(OMe)]3[O(COPh)]25+
Tb7Cu2[µ3-C6H13NO3-κ1N,κ5O,O',O'']2[µ3-HO]10--
--[µ2-CO2Ph-κ2O,O']4--
--[C6H15NO3-κ1N,κ3O,O',O'']2--
--[H2O]4--
--[H(OMe)]2[O(COPh)]25+

-
Cl
-
Cl
H2O

H2O

Page 3
Search: search3 (Fri Jan 29 12:13:32 2021): Hits 9-12
DOVCEY FOGKEU
Reference: S.K.Langley, B.Moubaraki, C.Tomasi, M.Evangelisti, Reference: Qiao Gao, Lin Xu, Donghua Hu, Dehui Li, Jing Yang
E.K.Brechin, K.S.Murray (2014) Inorg.Chem. ,53,13154 (2019) Inorg.Chem.Commun. ,104,160

Formula: C68 H112 Cu2 Dy7 N4 O40 5+,5(H2 O1),5(Cl1 1-) Formula: H1 Mo8 O26 3-,n(C8 H12 Cl1 Cu2 O8 1-),2(C6 H16 N1 O3 1+),2(K1 1+),17(H2 O1)

Compound Name: tetrakis(µ-benzoato)-decakis(µ-hydroxo)-bis(µ-2,2'-[(2-hydroxyethyl) Compound Name: catena-[bis(2-hydroxy-N,N-bis(2-hydroxyethyl)ethan-1-aminium) di-

imino]diethanolato)-tetraaqua-bis(benzoato)-bis(methanol)- potassium tetrakis(µ-acetato)-(µ-chloro)-di-copper(ii) undecakis(µ-oxo)-
bis(triethanolamine)-di-copper(ii)-hepta-dysprosium(iii) pentachloride (µ-hydroxo)-tetradecaoxo-octa-molybdenum heptadecahydrate]
pentahydrate
Space Group: Imma Cell: a 14.617(5) b 20.662(5) c 21.639(5)
Space Group: Pca21 Cell: a 31.890(6) b 11.820(2) c 29.220(6) Space Group No.: 74 (Å,°) α 90.00 β 90.00 γ 90.00
Space Group No.: 29 (Å,°) α 90.00 β 90.00 γ 90.00

O O
O O
O O O Cu O
Mo Mo O
CH3
- O OH CH3
O O
Dy7Cu2[µ3-C6H13NO3-κ1N,κ5O,O',O'']2[µ3-HO]10-- O
Mo O - Cu
O
O O O Cl
--[µ2-CO2Ph-κ2O,O']4-- Mo O O Mo
O
O
--[C6H15NO3-κ1N,κ3O,O',O'']2-- Mo
O O
O -
--[H2O]4-- - O Cu
O O
--[H(OMe)]2[O(COPh)]25+ Mo Mo Cu O
O O O
O O
-
Cl O CH3
OH
O O

+ CH3
H2O NH
+
OH K
H2O

OH

FOWBUP GIBGIJ
Reference: Hong-Xu Guo, Sen-Ke Huang, Xi-Zhong Li (2009) Reference: R.Kumar, S.Obrai, A.Kaur, G.Hundal, H.Meehnian,
Acta Crystallogr.,Sect.E:Struct.Rep.Online ,65,m891 A.K.Jana (2013) Polyhedron ,56,55

Formula: C6 H19 Cu1 N1 O5 2+,O4 S1 2-,H2 O1 Formula: C12 H17 Cu1 N4 O10 1+,C6 H2 N3 O7 1-,H2 O1

Compound Name: Diaqua-(triethanolamine-N,O,O',O'')-copper(ii) sulfate monohydrate Compound Name: (2,4,6-trinitrophenolato)-(2,2',2''-(nitrilo)triethanol)-copper(ii) 2,4,6-

trinitrophenolate monohydrate

Space Group: Pbca Cell: a 12.502(3) b 14.835(3) c 15.049(3)

Space Group No.: 61 (Å,°) α 90.00 β 90.00 γ 90.00 Space Group: P-1 Cell: a 8.070(5) b 12.664(5) c 13.061(5)
Space Group No.: 2 (Å,°) α 86.61(0) β 89.59(0) γ 72.11(0)

OH

N O2N

OH OH
O NO2

N
2+
Cu
O

O2N OH O2N
O Cu
+
H2O H2O
OH
OH NO2
-
O

N
- -
O SO3
H2O

H2O

Page 4
Search: search3 (Fri Jan 29 12:13:32 2021): Hits 13-16
HOCXEC IROMAD
Reference: V.S.Sergienko, E.G.Afonin, G.G.Aleksandrov (1999) Reference: Shan Gao, Ji-Wei Liu, Jian-Rong Li, Li-Hua Huo, Hui Zhao
Koord.Khim.(Russ.)(Coord.Chem.) ,25,133 (2004) Acta Crystallogr.,Sect.E:Struct.Rep.Online ,60,m94

Formula: C4 H17 Cu1 O16 P4 1-,C6 H16 N1 O3 1+,5(H2 O1) Formula: C9 H21 Cu1 N3 O4 2+,Cl1 O4 1-,0.5(C10 H8 O6 2-)

Compound Name: tris(2-Hydroxyethyl)ammonium diaqua-bis(1-hydroxyethane-1,1- Compound Name: Aqua-(1H-imidazole-N)-(triethanolamine-O,O',O'')-copper(ii) perchlorate

diphosphonato)-copper(ii) pentahydrate benzene-1,4-dioxyacetate

Space Group: P-1 Cell: a 10.818(9) b 12.446(8) c 12.736(6) Space Group: P-1 Cell: a 8.629(2) b 10.059(2) c 13.254(3)
Space Group No.: 2 (Å,°) α 105.48(5) β 100.46(5) γ 113.24(5) Space Group No.: 2 (Å,°) α 94.48(3) β 95.15(3) γ 114.49(3)

-
COO
-
HO O
CH3
P OH
H2O O OH
O
N
P O
H2O Cu O OH OH OH
OH
2+
Cu
O O
H2O
+
HO P P O NH
N
HO
HO OH
H3C OH
O
OH NH

-
H2O COO
-
ClO4

MEDHOT NEKVUW
Reference: R.M.Escovar, J.H.Thurston, T.Ould-Ely, A.Kumar, Reference: A.-M.-C.Dumitriu, M.Cazacu, A.Bargan, S.Shova, C.Turta
K.H.Whitmire (2005) Z.Anorg.Allg.Chem. ,631,2867 (2013) Polyhedron ,50,255

Formula: (C12 H15 Cu1 F9 N1 Na1 O9)n Formula: C12 H30 Cl4 Cu4 N2 O6

Compound Name: catena-((µ3-triethanolamine-N,O,O,O',O',O'',O'')-bis(µ2-trifluoroacetato- Compound Name: bis(µ3-2,2',2''-(nitrilo)triethanol)-tetrachloro-tetra-copper

O,O')-(trifluoroacetato-O)-copper(ii)-sodium)

Space Group: Pbca Cell: a 13.264(0) b 11.682(0) c 13.695(5)

Space Group: P21/n Cell: a 12.505(3) b 10.834(2) c 15.031(3) Space Group No.: 61 (Å,°) α 90.00 β 90.00 γ 90.00
Space Group No.: 14 (Å,°) α 90.00 β 98.69(3) γ 90.00

O Cu

F3C

Cl
CF3 O CF3

O O
Cu
O Na OH O
OH OH

O HO OH

OH Cu N Cu Cl Cl Cu N

O Cu OH
OH OH

Cu

OH N

Cl

OH

Na

Page 5
Search: search3 (Fri Jan 29 12:13:32 2021): Hits 17-20
QAMMEX UGAWEF
Reference: H.Olmez, H.Icbudak, O.Z.Yesilel, C.Arici, D.Ulku (2004) Reference: Yanyan Yang, Lin Xu, Guanggang Gao, Fengyan Li,
Z.Krist.Cryst.Mater. ,219,300 Xizheng Liu (2009) J.Coord.Chem. ,62,2583

Formula: C11 H17 Cu1 N3 O7,H2 O1 Formula: (C9 H19 Cu1 N3 O3 2+)n,n(C9 H20 Cu1 N3 O4 1+),n(Mo8 Na1 O26 3-),4n(H2 O1)

Compound Name: (Orotato)-(triethanolamine)-copper(ii) monohydrate Compound Name: catena-(Aqua-imidazole-(dihydrogen tris(2-oxyethyl)amine-N,O,O',O'')-

copper(ii) imidazole-(trihydrogen tris(2-oxyethyl)amine-N,O,O',O'')-
copper(ii) bis(µ5-oxo)-tetrakis(µ3-oxo)-tetradecakis(µ2-oxo)-hexaoxo-
Space Group: P21/n Cell: a 8.628(1) b 16.992(1) c 10.699(1) octa-molybdenum-sodium tetrahydrate)
Space Group No.: 14 (Å,°) α 90.00 β 110.08(3) γ 90.00
Space Group: P-1 Cell: a 13.629(1) b 14.399(1) c 14.418(1)
Space Group No.: 2 (Å,°) α 73.72(0) β 86.57(0) γ 62.31(0)
O

O O
O O
OO -
O O - Mo O
O O MoMo O
O
O O
O O Mo
Mo O O Mo
Mo O Na O
Mo O
NH N OH O Mo O O
O O O Mo
Mo O
-
O O O Mo O
O
O
O
Cu

O OH OH OH O H2O

N NH NH
2+ +
N Cu N N Cu N
OH

OH OH OH

H2O

H2O

VIYWOQ XOJZIG
Reference: Y.Y.Karabach, A.M.Kirillov, M.Haukka, M.N.Kopylovich, Reference: Y.Y.Karabach, A.M.Kirillov, M.Haukka, J.Sanchiz,
A.J.L.Pombeiro (2008) J.Inorg.Biochem. ,102,1190 M.N.Kopylovich, A.J.L.Pombeiro (2008) Cryst.Growth Des. ,8,4100

Formula: (C22 H32 Cu2 N2 O14)n Formula: C26 H46 Cu2 N4 O14

Compound Name: catena-((µ4-benzene-1,2,4,5-tetracarboxylato)-bis(2,2',2''- Compound Name: (µ2-1,2,4,5-Benzenetetracarboxylato)-bis(tris(2-hydroxyethyl)amine)-

nitrilotriethanol)-di-copper(ii)) bis(ethylamine)-di-copper(ii)

Synonym: catena-((µ4-pyromellitato)-bis(triethanolamine)-di-copper(ii))
Space Group: P-1 Cell: a 8.603(0) b 9.194(0) c 10.938(0)
Space Group No.: 2 (Å,°) α 87.17(0) β 71.93(0) γ 79.28(0)
Space Group: P21/n Cell: a 7.124(0) b 14.528(1) c 13.225(1)
Space Group No.: 14 (Å,°) α 90.00 β 104.14(0) γ 90.00
OH

OH OH
+
OH Cu

OH
Cu NH2 O O
N O
O O Et
Cu -
COO

OH O O

O O OH -
OOC
Et
Cu
O O
O O NH2
O N
Cu
OH +
Cu
OH
OH OH

OH

Page 6
Search: search3 (Fri Jan 29 12:13:32 2021): Hits 21-22
YUJGEQ
Reference: Xiuhong Xu, Ling Zhang, Yi Zhang, Bin Qi, Fang Luo
(2009) Z.Naturforsch.,B:Chem.Sci. ,64,821
Formula: C12 H76 Bi2 Cu3 N2 Na7 O95 W18 3-,2(C6 H16 N1 O3 1+),H12 Na1 O6 1+,14(H2 O1)
Compound Name: hexaaqua-sodium bis(tris(2-hydroxethyl)ammonium) hexakis(µ4-oxo)-
octadecakis(µ3-oxo)-hexakis(µ2-aqua)-hexacosakis(µ2-oxo)-
heptadecaaqua-hexaoxo-bis(triethanolamine)-di-bismuth-tri-copper-
hepta-sodium-octadeca-tungsten tetradecahydrate
ZAZGEP
Reference: F.Sama, A.K.Dhara, M.N.Akhtar, Yan-Cong Chen,
Ming-Liang Tong, I.A.Ansari, M.Raizada, M.Ahmad, M.Shahid,
Z.A.Siddiqi (2017) Dalton Trans. ,46,9801
Formula: C26 H40 Cu2 N2 O12 2+,C12 H26 Cu1 N2 O6 2-,2(H2 O1)
Compound Name: bis(µ-[2,2',2''-(nitrilo)tris(ethan-1-ol)])-bis(4-hydroxybenzoato)-di-copper
bis(hydrogen 2,2',2''-(nitrilo)tris(ethan-1-olato))-copper dihydrate

Space Group: P-1 Cell: a 7.652(0) b 7.830(0) c 19.984(0)

Space Group: C2/c Cell: a 14.567(1) b 23.041(1) c 37.412(2) Space Group No.: 2 (Å,°) α 93.10(0) β 90.48(0) γ 107.60(0)
Space Group No.: 15 (Å,°) α 90.00 β 91.57(0) γ 90.00

OH H2O

OH O

Na7W18Cu3Bi2[µ4-O]6[µ3-O]18[µ2-H2O]6[µ2-O]26-- N +
Cu
--[C6H15NO3]2-- OH
OH
--[H2O]17[O]163- OH
OH +
Cu
N

O
OH

H2O HO O
H2O H2O
+ +
Na NH
H2O H2O OH

H2O HO HO
H2O
-
O O
OH

N Cu N

HO
-
O O

Page 7