Crystallography Open Database

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2020759 CIF
HKL
Paper
C16 H16 B N O6P 1 21 17.49015; 8.24219; 13.275
90; 92.8753; 90
818.5Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization
Acta Crystallographica Section C, 2017, 73
2020760 CIF
HKL
Paper
C32 H48 B N O6P 21 21 219.0372; 15.5934; 44.5357
90; 90; 90
6276Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization
Acta Crystallographica Section C, 2017, 73
2020761 CIF
HKL
Paper
C16 H20 Br2 Cu N4 O2P -19.0673; 10.1144; 11.7417
69.013; 77.791; 81.901
980.2Smolentsev, Anton I.
Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands
Acta Crystallographica Section C, 2017, 73
2020762 CIF
HKL
Paper
C16 H22 Cu N6 O9P b c n13.3089; 8.4494; 18.535
90; 90; 90
2084.3Smolentsev, Anton I.
Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands
Acta Crystallographica Section C, 2017, 73
2020763 CIF
HKL
Paper
C16 H22 Cl2 Cu N4 O11C 1 2/c 118.7332; 8.2315; 15.7876
90; 109.1; 90
2300.46Smolentsev, Anton I.
Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands
Acta Crystallographica Section C, 2017, 73
2020764 CIF
HKL
Paper
C18 H21 N3 O15 S2C 1 2/c 119.951; 11.7885; 20.891
90; 105.625; 90
4731.8Truong, Khai-Nghi; Lothmann, Niklas; Englert, Ulli
A whole zoo of hydrogen bonds in one crystal structure: tris(isonicotinium) hydrogensulfate sulfate monohydrate
Acta Crystallographica Section C, 2017, 73, 525-530
2020765 CIF
HKL
Paper
C12 H10 Cl N5 O6P -17.1403; 8.6745; 11.573
93.721; 93.714; 104.23
690.94Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.
Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium
Acta Crystallographica Section C, 2017, 73, 536-540
2020766 CIF
HKL
Paper
C11 H15 Cl N4 O4 SP -16.54; 7.2557; 15.7696
81.617; 89.511; 74.154
711.79Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.
Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium
Acta Crystallographica Section C, 2017, 73, 536-540
2020767 CIF
HKL
Paper
C12 H11 F N2 O4P 1 21/c 113.6345; 6.9015; 12.6905
90; 105.429; 90
1151.1Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.
Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid
Acta Crystallographica Section C, 2017, 73, 259-263
2020768 CIF
HKL
C11 H8 F N3 O6P -15.9011; 9.795; 11.674
110.76; 91.84; 99.59
619.1Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.
Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid
Acta Crystallographica Section C, 2017, 73, 259-263
2020769 CIF
HKL
Paper
C10 H30 Mn N6 O4P -18.386; 9.1422; 12.9405
69.526; 87.16; 76.788
904.33Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020770 CIF
HKL
C10 H30 Fe N6 O4P -18.3426; 9.1332; 12.8165
70.423; 86.074; 75.628
891.19Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020771 CIF
HKL
C10 H30 Co N6 O4P -18.3029; 9.1295; 12.7175
71.021; 85.776; 75.146
881.08Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020772 CIF
HKL
C10 H30 N6 Ni O4P -18.2974; 9.0619; 12.5998
71.96; 85.204; 74.321
867.3Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020773 CIF
HKL
C10 H30 Cu N6 O4P -18.2953; 8.9144; 12.7148
75.244; 85.082; 71.226
860.84Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020774 CIF
HKL
C10 H30 N6 O4 ZnP -18.3223; 9.1059; 12.7492
70.855; 85.8; 75.434
883.34Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020775 CIF
HKL
Paper
C62 H40 Mg N6 O18P -19.2595; 10.2711; 16.0049
96.056; 92.679; 115.714
1356.47Liu, Jian-Jun; Liu, Teng; Huang, Chang-Cang
Synthesis and characterization of a photochromic magnesium(II) coordination polymer based on a naphthalene diimide ligand
Acta Crystallographica Section C, 2017, 73, 437-441
2020776 CIF
HKL
Paper
C62 H58 Cl2 Co2 N6 O18 P2P 1 21/c 111.0638; 14.0258; 20.8917
90; 101.59; 90
3175.84Anjana, S. S.; Varghese, Babu; Prasad, Edamana
Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages
Acta Crystallographica Section C, 2017, 73, 492-497
2020777 CIF
HKL
Paper
C66 H56 Cl2 Co2 N8 O16 P2P 1 21/c 113.0021; 12.8075; 19.8373
90; 93.008; 90
3298.84Anjana, S. S.; Varghese, Babu; Prasad, Edamana
Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages
Acta Crystallographica Section C, 2017, 73, 492-497
2020778 CIF
HKL
Paper
C90 H68 Ca O29 Zn6I 41/a33.1506; 33.1506; 16.6829
90; 90; 90
18333.9Guo, Pei-Ying; Ma, De-Yun; Guo, Hai-Fu
A twofold interpenetrating three-dimensional heterometallic metal‒organic framework with pcu topology based on 2-methylbiphenyl-4,4'-dicarboxylic acid
Acta Crystallographica Section C, 2017, 73, 470-475
2020779 CIF
HKL
Paper
C18 H26 Ag2 N10 O6 S3P 1 21/n 18.3665; 23.1277; 13.5984
90; 98.221; 90
2604.2Fu, Wei-Wei; Li, Juan; Liu, Shu-Ting; Zhao, Dan; Zhou, Xue; Tong, Yang
A one-dimensional silver(I) coordination polymer based on 5-methyl-1,3,4-thiadiazol-2-amine and pyridine-2,3-dicarboxylate
Acta Crystallographica Section C, 2017, 73, 498-502
2020780 CIF
HKL
Paper
C24 H10 Cd F10 N2 O5P 1 21/c 112.9134; 21.035; 9.1946
90; 93.696; 90
2492.4Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang
Two cadmium(II) fluorous coordination compounds tuned by different bipyridines
Acta Crystallographica Section C, 2017, 73, 424-429
2020781 CIF
HKL
Paper
C24 H12 Cd F10 N2 O6C 1 2/c 121.402; 11.711; 10.955
90; 106.639; 90
2630.8Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang
Two cadmium(II) fluorous coordination compounds tuned by different bipyridines
Acta Crystallographica Section C, 2017, 73, 424-429
2020782 CIF
HKL
Paper
C10 H28 Cu N2 O8P 1 21/c 115.7523; 7.1201; 15.954
90; 112.709; 90
1650.65Şen, Fatih; Kansiz, Sevgi; Uçar, İbrahim
A one-dimensional copper(II) coordination polymer incorporating succinate and <i>N</i>,<i>N</i>-diethylethylenediamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis
Acta Crystallographica Section C, 2017, 73, 517-524
2020783 CIF
HKL
Paper
C20 H20 N2 O4P 1 21 15.3048; 31.891; 10.508
90; 98.184; 90
1759.6Kerr, Hannah E.; Softley, Lorna K.; Suresh, Kuthuru; Hodgkinson, Paul; Evans, Ivana Radosavljevic
Structure and physicochemical characterization of a naproxen‒picolinamide cocrystal
Acta Crystallographica Section C, 2017, 73, 168-175
2020784 CIF
HKL
Paper
C26 H17 N5 O2 S2P 1 21/n 17.1707; 22.8006; 13.8237
90; 97.047; 90
2243.05Pöppler, Ann-Christin; Corlett, Emily K.; Pearce, Harriet; Seymour, Mark P.; Reid, Matthew; Montgomery, Mark G.; Brown, Steven P.
Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil
Acta Crystallographica Section C, 2017, 73, 149-156
2020785 CIF
HKL
C13 H13 Cl2 N5 O2I 41/a19.513; 19.513; 17.613
90; 90; 90
6706Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo
Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization
Acta Crystallographica Section C, 2017, 73, 563-568
2020786 CIF
HKL
C18 H19 Cl2 N5 O4P -17.9389; 12.2938; 12.3282
61.781; 79.379; 72.313
1008.91Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo
Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization
Acta Crystallographica Section C, 2017, 73, 563-568
2020787 CIF
HKL
Paper
C49 H41 Cu F6 N O2 P3P 1 21/n 110.5376; 21.5025; 19.9462
90; 99.079; 90
4462.9Shou, Rong-Er; Song, Li; Chai, Wen-Xiang; Qin, Lai-Shun; Wang, Tian-Gen
A new phosphorescent heteroleptic cuprous complex with a neutral 2-methylquinolin-8-ol ligand: synthesis, structure characterization, properties and TD‒DFT calculations
Acta Crystallographica Section C, 2017, 73, 486-491
2020788 CIF
HKL
Paper
C44 H52 Cu4 N4 O12P 1 21/c 116.2592; 14.2078; 9.256
90; 92.527; 90
2136.13Gungor, Elif
A new stepped tetranuclear copper(II) complex: synthesis, crystal structure and photoluminescence properties
Acta Crystallographica Section C, 2017, 73, 393-398
2020789 CIF
HKL
Paper
C18 H12 N2 OP 1 21/c 113.304; 5.1796; 19.6396
90; 95.143; 90
1347.9Su, Yan-Xiao; Zhang, Chao-Zhi; Song, Ming-Xia
Optical properties of (<i>Z</i>)-2-(2-phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one: a potential electron donor in organic solar cells
Acta Crystallographica Section C, 2017, 73, 458-463
2020790 CIF
HKL
Paper
C3 H18 F6 N9 VP a -314.095; 14.095; 14.095
90; 90; 90
2800.2Black, Cameron; Lightfoot, Philip
Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite
Acta Crystallographica Section C, 2017, 73, 244-246
2020791 CIF
HKL
Paper
C32 H22 N4 O4 S4P 1 2/c 113.1813; 7.2661; 15.6283
90; 96.933; 90
1485.88Zarei, Seyed Amir; Piltan, Mohammad; Mashhun, Asmar; Rudbari, Hadi Amiri; Bruno, Giuseppe
2,2'-[(Disulfanediyl)bis{5-[(1<i>E</i>)-(2-hydroxybenzylidene)amino]-1,3-thiazole-4,2-diyl}]diphenol: synthesis, crystal structure and calculation of molecular hyperpolarizability
Acta Crystallographica Section C, 2017, 73
2020792 CIF
HKL
Paper
C16 H14 F4 N2 O4 SP -17.0975; 7.9093; 16.9976
86.16; 83.141; 66.564
869Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang
Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates
Acta Crystallographica Section C, 2017, 73
2020793 CIF
HKL
C16 H13 F5 N2 O4 SI -421.6747; 21.6747; 7.285
90; 90; 90
3422.44Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang
Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates
Acta Crystallographica Section C, 2017, 73
2020794 CIF
HKL
Paper
C22 H28 N2 O4P 21 21 215.0591; 16.7533; 23.5587
90; 90; 90
1996.76Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos
Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials
Acta Crystallographica Section C, 2017, 73, 447-450
2020795 CIF
HKL
C22 H28 N2 O4P 21 21 215.0827; 16.7903; 24.0532
90; 90; 90
2052.7Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos
Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials
Acta Crystallographica Section C, 2017, 73, 447-450
2020796 CIF
HKL
Paper
C27 H25 N5P 1 21/c 18.1493; 8.5209; 34.4887
90; 96.648; 90
2378.8Bu, Fan-Zhi; Tan, Xue-Jie; Xing, Dian-Xiang; Wang, Chao
Design, synthesis, crystal structure and <i>in vitro</i> cytotoxic properties of a novel Schiff base derived from indole and biphenyl
Acta Crystallographica Section C, 2017, 73, 546-555
2020797 CIF
HKL
Paper
C24 H32 Cl2 O2 Sc2P 1 21/n 19.3324; 10.754; 12.2892
90; 111.349; 90
1148.72Zhou, Zheng; Greenough, Joshua; Wei, Zheng; Petrukhina, Marina A.
The dinuclear scandium(III) cyclooctatetraenyl chloride complex di-μ-chlorido-bis[(η^8^-cyclooctatetraene)(tetrahydrofuran-κ<i>O</i>)scandium(III)]
Acta Crystallographica Section C, 2017, 73, 420-423
2020798 CIF
HKL
Paper
C33 H27 Br O6P -18.4269; 12.4905; 15.1415
66.53; 76.005; 85.473
1418.22Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba
Three isostructural solvates of a tetrahydrofurochromenone derivative
Acta Crystallographica Section C, 2017, 73, 407-413
2020799 CIF
HKL
Paper
C34 H29 Br O6P -18.3989; 12.5415; 15.2195
67.408; 76.135; 85.458
1436.85Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba
Three isostructural solvates of a tetrahydrofurochromenone derivative
Acta Crystallographica Section C, 2017, 73, 407-413
2020800 CIF
HKL
Paper
C35 H31 Br O6P -18.2587; 12.7841; 15.6238
66.446; 76.634; 86.03
1470.67Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba
Three isostructural solvates of a tetrahydrofurochromenone derivative
Acta Crystallographica Section C, 2017, 73, 407-413
2020801 CIF
HKL
Paper
C8 H20 Mn O18 UP -16.997; 7.185; 11.043
106.356; 93.891; 115.13
470.9Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.
Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020802 CIFC8 H20 Co O18 UP -16.997; 7.185; 11.043
106.356; 93.891; 115.13
470.9Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.
Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020803 CIF
HKL
Paper
C22 H30 O9P 21 21 219.1605; 13.8069; 16.8625
90; 90; 90
2132.74Paz, Cristian; von Dossow, Daniela; Tiznado, Victor; Suarez, Sebastián; Cukiernik, Fabio D.; Baggio, Ricardo
A dihydro-β-agarofuran sesquiterpene from <i>Maytenus boaria</i>
Acta Crystallographica Section C, 2017, 73, 451-457
2020804 CIF
HKL
Paper
H20 Mg Na2 O18 Se2P 1 21/c 112.671; 6.61; 10.2706
90; 106.64; 90
824.19Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O
Acta Crystallographica Section C, 2017, 73, 582-587
2020805 CIF
HKL
Paper
H4 Mg Na2 O10 Se2P -15.556; 5.923; 7.224
108.36; 99.07; 106.63
208Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O
Acta Crystallographica Section C, 2017, 73, 582-587
2020806 CIF
HKL
Paper
C27 H32 N2 O3P 21 21 219.9801; 18.854; 26.1414
90; 90; 90
4918.9Kramer, Philipp; Bolte, Michael
Synthesis and crystal structures of two structurally related kryptoracemates
Acta Crystallographica Section C, 2017, 73, 575-581
2020807 CIF
HKL
Paper
C25.5 H29 Cl N2 O3P 110.1501; 14.8556; 17.662
109.248; 97.929; 91.214
2483.9Kramer, Philipp; Bolte, Michael
Synthesis and crystal structures of two structurally related kryptoracemates
Acta Crystallographica Section C, 2017, 73, 575-581
2020808 CIF
HKL
Paper
C9 H6 Br F N2 O4 SP -16.8884; 9.5036; 9.618
73.608; 87.634; 69.969
566.43Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.
Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid
Acta Crystallographica Section C, 2017, 73, 481-485
2020809 CIF
HKL
Paper
C9 H7 F N2 O4 SP -16.8304; 7.0075; 12.3042
93.348; 103.091; 115.566
509.22Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.
Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid
Acta Crystallographica Section C, 2017, 73, 481-485
2020810 CIF
HKL
Paper
C49 H37 Cl7 N4 O4 S4P -110.242; 11.807; 22.297
80.453; 84.916; 64.733
2404.1Wickham, Laura M.; Tanski, Joseph M.; Nadeau, Jocelyn M.
Crystal structure of a fluorescent C-shaped molecule containing closely stacked bithiophene-substituted quinoxaline rings
Acta Crystallographica Section C, 2017, 73, 276-279
2020811 CIF
HKL
Paper
C46 H40 Cl2 Co N16 O10P 1 21/n 19.54931; 16.1513; 14.5715
90; 91.2561; 90
2246.88Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin
Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts
Acta Crystallographica Section C, 2017, 73, 247-253
2020812 CIF
HKL
Paper
C22 H16 Cl2 Co N8P 1 21/c 120.4923; 7.4278; 13.9819
90; 94.891; 90
2120.47Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin
Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts
Acta Crystallographica Section C, 2017, 73, 247-253
2020813 CIF
HKL
Paper
C14 H21 N O4P 1 21 18.7136; 6.3606; 13.3613
90; 100.22; 90
728.78Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech
Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers
Acta Crystallographica Section C, 2017, 73, 556-562
2020814 CIF
HKL
Paper
C14 H21 N O4P 1 21 18.7007; 6.3466; 13.3458
90; 100.243; 90
725.21Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech
Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers
Acta Crystallographica Section C, 2017, 73, 556-562
2020815 CIF
HKL
Paper
C32 H55 O5.5C 1 2 129.0091; 7.7205; 29.9984
90; 114.524; 90
6112.5Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo
Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer
Acta Crystallographica Section C, 2017, 73, 464-469
2020816 CIF
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C33 H57 O5.5P 1 21 117.9895; 8.2912; 22.7981
90; 108.343; 90
3227.7Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo
Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer
Acta Crystallographica Section C, 2017, 73, 464-469
2020817 CIF
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Paper
C32 H54 O5P 1 21 110.91; 8.037; 17.018
90; 92.5; 90
1490.8Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo
Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer
Acta Crystallographica Section C, 2017, 73, 464-469
2020818 CIF
HKL
C10 H4 O9 Sr2C 1 2/c 18.1694; 17.2478; 7.7689
90; 97.521; 90
1085.25Trifa, Chahrazed; Mokhtari, Samia; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine
A novel three-dimensional Sr^II^ coordination polymer based on benzene-1,2,4,5-tetracarboxylate: hydrothermal synthesis, crystal structure and spectroscopic and thermal studies
Acta Crystallographica Section C, 2017, 73, 369-375
2020819 CIF
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Paper
C30 H44 Fe N10 O8P 1 21/c 18.73056; 11.7379; 17.619
90; 102.142; 90
1765.17Tanaka, Rikako; Matsushita, Nobuyuki
A charge-transfer salt composed of methyl viologen and hexacyanidoferrate(II)
Acta Crystallographica Section C, 2017, 73, 476-480
2020820 CIF
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Paper
C22 H43 Cl Fe N O P3P 1 21/c 117.0243; 10.494; 15.1374
90; 109.09; 90
2555.6Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.
Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors
Acta Crystallographica Section C, 2017, 73, 569-574
2020821 CIF
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Paper
C23 H39 Cl Fe N2 P2P 1 21/n 17.6074; 18.2229; 19.1442
90; 92.3658; 90
2651.7Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.
Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors
Acta Crystallographica Section C, 2017, 73, 569-574
2020822 CIF
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Paper
C20 H34 Cl Fe N O2 P2P 1 21/c 113.7917; 14.6349; 11.2225
90; 90.729; 90
2265Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.
Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors
Acta Crystallographica Section C, 2017, 73, 569-574
2020823 CIF
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Paper
C34 H26 Cd N2 O7P -18.073; 12.4019; 15.2718
106.744; 101.979; 96.647
1406.93Xie, Hua; Fang, Wang-Jian; Yao, Xiao-Qiang
A cadmium(II) coordination polymer with both polyrotaxane and polycatenane features constructed by a V-shaped semi-rigid ligand: synthesis and fluorescence properties
Acta Crystallographica Section C, 2017, 73, 541-545
2020824 CIF
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Paper
C14 H12 F3 I3 N2P 1 21/c 17.9818; 26.7046; 9.222
90; 115.398; 90
1775.69Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.
^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles
Acta Crystallographica Section C, 2017, 73, 157-167
2020825 CIF
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Paper
C19 H9 F3 I3 NP 1 21/c 110.5079; 12.5632; 15.1563
90; 102.49; 90
1953.47Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.
^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles
Acta Crystallographica Section C, 2017, 73, 157-167
2020826 CIF
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Paper
C18 H8 F3 I3 N2P 1 21/c 18.6445; 14.0472; 15.8147
90; 97.662; 90
1903.25Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.
^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles
Acta Crystallographica Section C, 2017, 73, 157-167
2020827 CIF
HKL
Paper
C24 H18 Cu N2 O6P 1 21/c 111.731; 14.274; 13.211
90; 100.862; 90
2172.5Tang, Long; Zhang, Juan; Liu, Xiao-Xia; Wang, Ji-Jiang; Fu, Feng
A two-dimensional copper(II) coordination polymer based on 2,4′-oxybis(benzoate) and 4,4′-bipyridine
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020832 CIF
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Paper
C38 H35 N O2 P2P 1 21 111.7931; 10.4209; 14.0792
90; 111.081; 90
1614.46Balogh, Szabolcs; Farkas, Gergely; Holczbauer, Tamás; Bakos, József
Origin of the chemical stability of phosphine-phosphoramidites: structural study of an UPPhos-type crystal and application of UPPhos in the asymmetric hydrogenation of imines
Acta Crystallographica Section C, 2017, 73
2020833 CIF
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Paper
C15 H9 Cr F O3P 1 21/c 17.0166; 27.4725; 7.1101
90; 113.738; 90
1254.61Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.
Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls
Acta Crystallographica Section C, 2017, 73
2020834 CIF
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Paper
C15 H9 Cr F O3P 1 21/c 17.0616; 28.3503; 7.0571
90; 114.324; 90
1287.41Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.
Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls
Acta Crystallographica Section C, 2017, 73
2020835 CIF
HKL
Paper
C12 H9 FF d d 212.9824; 23.0588; 5.7527
90; 90; 90
1722.1Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.
Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls
Acta Crystallographica Section C, 2017, 73
2020836 CIF
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Paper
C12 H9 FP b c n5.6462; 20.739; 7.292
90; 90; 90
853.9Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.
Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls
Acta Crystallographica Section C, 2017, 73
2020837 CIF
HKL
C32 H36 Co N8 O8P 1 2/n 113.264; 9.0189; 14.709
90; 107.04; 90
1682.3Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru
Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate
Acta Crystallographica Section C, 2017, 73, 645-651
2020838 CIF
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C32 H36 N8 Ni O8P 1 2/n 113.192; 9.018; 14.67
90; 106.84; 90
1670.4Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru
Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate
Acta Crystallographica Section C, 2017, 73, 645-651
2020840 CIF
HKL
Paper
C22 H28 O7P 1 21/c 14.9801; 17.4771; 23.1
90; 94.124; 90
2005.37Wiedemann, Dennis; Kohl, Julia
Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020841 CIF
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Paper
C22 H28 O7P 1 21/c 14.9801; 17.4771; 23.1
90; 94.124; 90
2005.37Wiedemann, Dennis; Kohl, Julia
Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020842 CIF
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Paper
C6 F3 I3P 1 21/c 19.3455; 13.1854; 9.2185
90; 118.466; 90
998.61Raffo, Pablo A.; Suárez, Sebastián; Fantoni, Adolfo C.; Baggio, Ricardo; Cukiernik, Fabio D.
Polymorphism of a widely used building block for halogen-bonded assemblies: 1,3,5-trifluoro-2,4,6-triiodobenzene
Acta Crystallographica Section C, 2017, 73
2020843 CIF
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Paper
C24 H28 N6 O4P c c n9.1077; 13.5893; 19.476
90; 90; 90
2410.5Martin, Kenneth L.; Breton, Gary W.
Computational, ^1^H NMR, and X-ray structural studies on 1-arylurazole tetrazane dimers
Acta Crystallographica Section C, 2017, 73
2020844 CIF
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Paper
C12 H11 Cl N3 O PP 3 c 115.8635; 15.8635; 8.9754
90; 90; 120
1956.06Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Ghorbanian, Nazila; Andreev, Pavel V.
A novel tubular hydrogen-bond pattern in a new diazaphosphole oxide: a combination of X-ray crystallography and theoretical study of hydrogen bonds
Acta Crystallographica Section C, 2017, 73, 508-516
2020845 CIF
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Paper
C28 H20 N18 ZnP -18.4211; 9.5379; 9.7491
83.531; 66.048; 85.922
710.78Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher
Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties
Acta Crystallographica Section C, 2017, 73
2020846 CIF
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Paper
C28 H20 Cd N18P -18.7209; 8.7949; 10.349
91.966; 94.945; 112.682
727.67Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher
Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties
Acta Crystallographica Section C, 2017, 73
2020847 CIF
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Paper
C32 H20 Cd N18P -19.271; 9.571; 10.156
87.833; 68.383; 88.803
837.2Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher
Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties
Acta Crystallographica Section C, 2017, 73
2020848 CIF
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Paper
C78 H91 Fe K N10 O8P 1 21/c 113.0866; 21.934; 24.898
90; 91.214; 90
7145.2Wu, Qi; Yao, Zhen; Li, Jianfeng
Synthesis and characterization of (cryptand-222)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)
Acta Crystallographica Section C, 2017, 73
2020849 CIF
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Paper
C20 H18 Cl2 N4 PtP 1 21/c 110.6134; 15.7166; 11.8754
90; 100.376; 90
1948.5DeStefano, Matthew R.; Geiger, David K.
A luminescent bis(pyridyl)-substituted benzimidazole platinum(II) complex exhibiting an intermolecular anagostic interaction
Acta Crystallographica Section C, 2017, 73
2020850 CIF
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Paper
C28 H30 Cl2 Cu N6 O13C 1 2/c 148.675; 8.375; 16.3155
90; 100.716; 90
6535.1Bhat, Satish S.; Revankar, Vidyanand K.; Shivalingegowda, Naveen; Lokanath, N. K.
A fluorophore-labelled copper complex: crystal structure, hybrid cyclic water‒perchlorate cluster and biological properties
Acta Crystallographica Section C, 2017, 73
2020851 CIF
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Paper
C50 H34 Cl2 N4 O14 Zn2P 1 21/n 110.6003; 14.0573; 15.8141
90; 104.016; 90
2286.33Sorenson, Shayne; Popova, Marina; Arif, Atta M.; Berreau, Lisa M.
A bipyridine-ligated zinc(II) complex with bridging flavonolate ligation: synthesis, characterization, and visible-light-induced CO release reactivity
Acta Crystallographica Section C, 2017, 73
2020852 CIF
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Paper
C20 H24 Br4 Cd Hg N2 O5P 1 21/c 17.3985; 16.498; 22.9089
90; 98.3739; 90
2766.5Truong, Khai-Nghi; Merkens, Carina; Englert, Ulli
3-(Pyridin-4-yl)acetylacetone: Cd^II^ and Hg^II^ compete for nitrogen coordination
Acta Crystallographica Section C, 2017, 73
2020853 CIF
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Paper
C21 H25 Cl O5 SP 21 21 215.3945; 9.1577; 43.475
90; 90; 90
2147.7Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.
Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin
Acta Crystallographica Section C, 2017, 73
2020854 CIF
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Paper
C21 H27 Cl O6 SP 21 21 214.4659; 9.8994; 48.073
90; 90; 90
2125.3Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.
Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin
Acta Crystallographica Section C, 2017, 73
2020855 CIF
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Paper
C25 H28 Fe N4 O5P 1 21/n 110.3583; 13.1393; 17.7722
90; 92.291; 90
2416.88Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)
Acta Crystallographica Section C, 2017, 73
2020856 CIF
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C17 H18 Cl Fe N3 O2I 1 2/a 120.8783; 7.4013; 23.2605
90; 108.146; 90
3415.6Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)
Acta Crystallographica Section C, 2017, 73
2020857 CIF
HKL
Paper
C13 H11 Cd N3 O7C 1 2/c 116.56; 13.383; 13.302
90; 111.47; 90
2743.5Zhou, Qian-Kun; Li, Ni-Ya
A three-dimensional cadmium coordination polymer based on 1,4-bis(1,2,4-triazol-1-yl)but-2-ene and benzene-1,3,5-tricarboxylic acid
Acta Crystallographica Section C, 2017, 73
2020858 CIF
HKL
C11 H12 N2 O4P b c a6.9132; 8.9917; 36.898
90; 90; 90
2293.6Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan
Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding
Acta Crystallographica Section C Structural Chemistry, 2015, 71, 602
2020859 CIF
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C16 H18 N4 O6P b c n6.9499; 9.0237; 26.828
90; 90; 90
1682.5Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan
Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding
Acta Crystallographica Section C Structural Chemistry, 2015, 71, 602
2020860 CIF
HKL
C16 H18 N4 O6P 1 21/c 114.204; 6.9634; 8.4505
90; 97.639; 90
828.4Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan
Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding
Acta Crystallographica Section C Structural Chemistry, 2015, 71, 602
2020861 CIF
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C17 H18 N2 O8P -16.9652; 10.2125; 12.951
97.218; 99.189; 108.549
846.7Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan
Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding
Acta Crystallographica Section C Structural Chemistry, 2015, 71, 602
2020878 CIF
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Paper
C24 H12 Cl2 Cu N8 S2C 1 2/c 18.181; 12.168; 22.99
90; 92.197; 90
2286.9Bhat, Satish S.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore; Kawade, Vitthal A.
Synthesis, crystal structure and biological properties of a <i>cis</i>-dichloridobis(diimine)copper(II) complex
Acta Crystallographica Section C, 2018, 74
2020879 CIF
HKL
Paper
C36 H75 Cl2 Fe7 N6 O26P a -322.0884; 22.0884; 22.0884
90; 90; 90
10776.9van der Horn, Jitschaq A.; Lutz, Martin
Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe~7~(tea)~3~(tea-H)~3~](ClO~4~)~2~ (tea-H~3~ is triethanolamine)
Acta Crystallographica Section C, 2018, 74

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