Crystallography Open Database

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Searching space group like 'P c a 21'

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2020039 CIF
HKL
Paper
C38 H34 Cd2 N6 O8P c a 2121.143; 8.0696; 21.473
90; 90; 90
3663.6Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng
Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands
Acta Crystallographica Section C, 2015, 71
2020287 CIF
HKL
Paper
C12 H14 N2 O7P c a 2126.534; 6.5377; 7.6136
90; 90; 90
1320.7Sridhar, Balasubramanian
Synthon preference in a hydrated β-resorcylic acid structure and its cocrystal with thymine
Acta Crystallographica Section C, 2015, 71
2020330 CIF
HKL
Paper
C22 H24 Br3 N5 O2 Zn2P c a 2118.7061; 13.3342; 20.4516
90; 90; 90
5101.3Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.
A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)
Acta Crystallographica Section C, 2016, 72, 68-74
2020386 CIF
HKL
Paper
C19 H17 N O4P c a 219.7969; 17.594; 9.6425
90; 90; 90
1662Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon
Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate
Acta Crystallographica Section C, 2016, 72, 94-98
2020750 CIFF6 H8 N2 ZrP c a 2113.398; 7.739; 11.68
90; 90; 90
1211.1A. Zalkin; D. Eimerl; S. P. Velsko
Diammonium hexafluorozirconate
Acta Crystallographica, Section C, 1988, 44, 2050-2051
2021027 CIF
HKL
Paper
Cl4 ZrP c a 216.2199; 7.3301; 11.9153
90; 90; 90
543.25Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic
Zirconium tetrachloride revisited
Acta Crystallographica Section C, 2018, 74
2021028 CIF
HKL
Paper
Cl4 ZrP c a 216.2311; 7.3497; 11.9462
90; 90; 90
547.1Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic
Zirconium tetrachloride revisited
Acta Crystallographica Section C, 2018, 74
2021029 CIF
HKL
Paper
Cl4 ZrP c a 216.2389; 7.3667; 11.9735
90; 90; 90
550.3Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic
Zirconium tetrachloride revisited
Acta Crystallographica Section C, 2018, 74
2021030 CIF
HKL
Paper
Cl4 ZrP c a 216.253; 7.383; 12.017
90; 90; 90
554.8Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic
Zirconium tetrachloride revisited
Acta Crystallographica Section C, 2018, 74
2021031 CIF
HKL
Paper
Cl4 ZrP c a 216.262; 7.402; 12.039
90; 90; 90
558Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic
Zirconium tetrachloride revisited
Acta Crystallographica Section C, 2018, 74
2021221 CIF
HKL
Paper
C15 H15 N O3P c a 2123.689; 7.6951; 7.3488
90; 90; 90
1339.6Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher
Eight Schiff bases derived from various salicylaldehydes: phenol–imine and keto–amine forms, conformational disorder, and supramolecular assembly in one and two dimensions
Acta Crystallographica Section C, 2018, 74, 1094-1104
2021556 CIF
HKL
Paper
C18 H14 F2 N O3 PP c a 2135.0582; 7.2554; 13.3647
90; 90; 90
3399.46Hasija, Avantika; Chopra, Deepak
Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative
Acta Crystallographica Section C, 2019, 75, 451-461
2021591 CIF
HKL
Paper
C21 H26 Cu N2 O3P c a 2123.1862; 6.4178; 13.1598
90; 90; 90
1958.24Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.
The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase
Acta Crystallographica Section C, 2019, 75, 538-544
2021676 CIF
HKL
Paper
C24 H16 Br2 OP c a 2112.006; 5.2243; 31.998
90; 90; 90
2007Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina
Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments
Acta Crystallographica, Section C, 2018, 74, 1674-1683
2021679 CIF
HKL
Paper
C20 H16 O2P c a 219.5892; 10.145; 30.08
90; 90; 90
2926.3Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina
Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments
Acta Crystallographica, Section C, 2018, 74, 1674-1683
2021805 CIF
HKL
Paper
C16 H9 N3 O3P c a 2120.931; 3.7708; 16.0887
90; 90; 90
1269.8Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.
Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones
Acta Crystallographica Section C, 2019, 75
2021812 CIF
HKL
Paper
C8 H9 N O2P c a 2111.8376; 8.5688; 14.81837
90; 90; 90
1503.09Reiss, Céleste A.; van Mechelen, Jan B.; Goubitz, Kees; Peschar, René
Reassessment of paracetamol orthorhombic Form III and determination of a novel low-temperature monoclinic Form III-m from powder diffraction data
Acta Crystallographica Section C, 2018, 74, 392-399
2021923 CIF
Paper
C3 H12 Bi Cl5 N2P c a 2119.8403; 6.3303; 19.0314
90; 90; 90
2390.25Abdel-Aal, Seham K.; Abdel-Rahman, Ahmed S.; Gamal, Wafia M.; Abdel-Kader, Mohamed; Ayoub, Hany S.; El-Sherif, Ashraf F.; Kandeel, M. F.; Bozhko, S.; Yakimov, E. E.; Yakimov, E. B.
Crystal structure, vibrational spectroscopy and optical properties of a one-dimensional organic–inorganic hybrid perovskite of [NH3CH2CH(NH3)CH2]BiCl5
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 880
2021981 CIF
HKL
Paper
C16 H14 O3P c a 2125.297; 4.0469; 12.639
90; 90; 90
1293.9Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła
Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors
Acta Crystallographica Section C, 2020, 76
2022203 CIF
HKL
Paper
C20 H24 N4 O4 SP c a 2128.5394; 8.0288; 9.1435
90; 90; 90
2095.12Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna
The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity
Acta Crystallographica Section C, 2020, 76
2022251 CIF
HKL
Paper
C18 H20 O5P c a 2125.9293; 8.8657; 14.3503
90; 90; 90
3298.87Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej
Two new polymorphic forms of combretastatin A-4, an antitumour agent
Acta Crystallographica Section C, 2020, 76, 958-964
2022295 CIF
HKL
Paper
C13 H10 Br N OP c a 2112.2768; 4.4829; 19.6694
90; 90; 90
1082.52Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism
Acta Crystallographica Section C, 2020, 76, 1001-1004
2022593 CIF
Paper
C16 H18 N2 O4P c a 2113.6888; 11.037; 9.6269
90; 90; 90
1454.46González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor
Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam
Acta Crystallographica Section C, 2022, 78
2022624 CIF
HKL
Paper
C14 H14 Cl N3 O4P c a 2123.7648; 8.5785; 6.9373
90; 90; 90
1414.28Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek
A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties
Acta Crystallographica Section C, 2022, 78
2022643 CIF
HKL
Paper
C14 H9 Br Cl2 N2 OP c a 2116.451; 4.4314; 20.0523
90; 90; 90
1461.83Manawar, Rohit B.; Pashavan, Chandankumar T.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.
Crystal structures of two dis-symmetric di-Schiff base compounds: 2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol and 4-bromo-2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol
Acta Crystallographica, Section E: Crystallographic Communications, 2020, 76, 862
2022707 CIF
HKL
Paper
C10 H7 Br2 N O2 SP c a 217.1195; 16.4402; 9.7821
90; 90; 90
1144.96George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.
Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 125-132
2022776 CIF
HKL
Paper
C18 H14 N2 OP c a 219.1548; 9.7791; 15.6336
90; 90; 90
1399.61Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen
Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis
Acta Crystallographica Section C Structural Chemistry, 2023, 79, 292-304
2022784 CIF
HKL
Paper
C56 H47 Fe N3 OP c a 2116.7473; 12.1998; 20.9668
90; 90; 90
4283.8Bütikofer, André; Chen, Peter
Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate
Acta Crystallographica Section E Crystallographic Communications, 2023, 79
2022852 CIF
HKL
Paper
C17 H13 N O4P c a 2112.7698; 14.9212; 7.1087
90; 90; 90
1354.5Hollauer, Henrique V. P.; Vilas Novas, Rachel C.; Guedes, Guilherme P.; Buarque, Camilla D.; Escobar, Lívia B. L.
Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-ylamino)benzoate
Acta Crystallographica Section E Crystallographic Communications, 2023, 79, 842-846
2022936 CIF
HKL
Paper
C24 H29 F2 N O4P c a 2111.9879; 12.1807; 15.4518
90; 90; 90
2256.3Yıldırım, Sema Öztürk; Akkurt, Mehmet; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya
Synthesis, characterization, crystal structure and Hirshfeld surface analysis of isobutyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Acta Crystallographica Section E Crystallographic Communications, 2023, 79, 1132-1136
2022989 CIF
HKL
C5 H11 F6 N2 O PP c a 2110.4504; 13.717; 13.4157
90; 90; 90
1923.1Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh
Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 88-93
2023006 CIF
HKL
Paper
C16 H11 F N2 OP c a 2123.612; 7.2392; 7.2122
90; 90; 90
1232.8Akkache, Hibet Errahmane Meroua; Hamdouni, Noudjoud; Boudjada, Ali; Medjroubi, Mohamed Larbi; Mili, Assia; Jeannin, Olivier
Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[(<i>E</i>)-2-(2-fluoro-phen-yl)diazan-1-yl-idene]naphthalen-2(1<i>H</i>)-one.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 137-142
2023073 CIF
Paper
C13 H13 Cl N2 O3P c a 2122.8042; 4.7826; 11.7421
90; 90; 90
1280.63Mustaphi, Nour El Hoda; Aboutofil, Fatima Ezzahra; El Houssni, Lamyae; Saif, Eiad; Mague, Joel T.; Chkirate, Karim; Essassi, El Mokhtar
Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)acetate.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 430-434
2023081 CIF
Paper
C5 H12 N2 O2P c a 217.1686; 4.8491; 19.1276
90; 90; 90
664.9Justen, Guilherme Augusto; Carneiro Neto, José Severiano; Sousa Santana, Francielli; Leiriane Batistel Ribas, Maria; Gomes da Silva de Paula, Felipe; Dario, Priscila Paola; Gonçalves Montes D'Oca, Marcelo
Crystal structure and Hirshfeld surface analysis of 5-hydroxypentanehydrazide
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
2023422 CIF
Paper
C20 H21 N3 O5 SP c a 219.2969; 14.0662; 15.1168
90; 90; 90
1976.85Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Al-Ashmawy, Aisha A K; Srour, Aladdin M.
Synthesis and crystal structure of 5-{(<i>E</i>)-[(1<i>H</i>-indol-3-ylformamido)-imino]-meth-yl}-2-meth-oxy-phenyl propane-1-sulfonate.
Acta crystallographica. Section E, Crystallographic communications, 2025, 81, 310-313
2023448 CIF
Paper
C15 H12 Br Cl N2 O2P c a 2114.0199; 16.594; 6.4471
90; 90; 90
1499.9Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya
Crystal structures and Hirshfeld surface analyses of methyl (2<i>Z</i>)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2<i>Z</i>)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2<i>E</i>)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2<i>Z</i>)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate.
Acta crystallographica. Section E, Crystallographic communications, 2025, 81, 314-323
2023505 CIF
Paper
C15 H13 N O2P c a 2115.356; 5.04; 31.0254
90; 90; 90
2401.19Abubakar Magaji, Mubarak; Chen, Beining; Robertson, Craig Collumbine
Synthesis, crystal structure and Hirshfeld surface analysis of Fmoc-β-amino butyric acid and Fmoc carbamate
Acta Crystallographica Section E Crystallographic Communications, 2025, 81
2100615 CIF
Paper
C16 H14 O3P c a 2117.602; 6.8423; 21.662
90; 90; 90
2609V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2101192 CIF
Paper
C20 H22 O4P c a 217.325; 14.781; 15.535
90; 90; 90
1682Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M.
Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate
Acta Crystallographica Section B, 1994, 50, 597-600
2101203 CIF
Paper
C10 H8 Cl N3 O2P c a 2118.324; 5.771; 20.016
90; 90; 90
2116.6Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.
Intramolecular N–H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives
Acta Crystallographica Section B, 1994, 50, 617-625
2102116 CIF
Paper
C5 H9 N O2P c a 219.8588; 4.8125; 25.0546
90; 90; 90
1188.73Dalhus, Bjørn; Görbitz, Carl Henrik
Non-centrosymmetric racemates: space-group frequencies and conformational similarities between crystallographically independent molecules
Acta Crystallographica Section B, 2000, 56, 715-719
2102786 CIF
HKL
Paper
C6 H3 N5 O6P c a 2113.3229; 7.0005; 9.3471
90; 90; 90
871.78Chen, Yu-Sheng; Stash, Adam I.; Pinkerton, A. Alan
Chemical bonding and intermolecular interactions in energetic materials: 1,3,4-trinitro-7,8-diazapentalene
Acta Crystallographica, Section B: Structural Science, 2007, 63, 309-318
2102927 CIF
Paper
C4 Br4 SP c a 2112.6516; 4.0373; 16.3456
90; 90; 90
834.9Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102928 CIF
Paper
C4 Br4 SP c a 2112.6511; 4.0371; 16.3449
90; 90; 90
834.79Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102929 CIF
Paper
C4 Br4 SP c a 2112.6482; 4.0362; 16.3411
90; 90; 90
834.22Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102932 CIF
Paper
C4 Br4 SP c a 2112.643; 4.034; 16.35
90; 90; 90
833.8Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102933 CIF
Paper
C4 Br4 SP c a 2112.5599; 3.9973; 16.3267
90; 90; 90
819.69Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2103047 CIF
Paper
C12 H8 Br F OP c a 2114.9203; 11.6841; 5.8727
90; 90; 90
1023.8Klösener, J.; Swenson, D. C.; Robertson, L. W.; Luthe, G.
Effects of fluoro substitution on 4-bromodiphenyl ether (PBDE 3)
Acta Crystallographica Section B, 2008, 64, 108-119
2103674 CIF
Paper
C6 H6 N2 O2P c a 2118.873; 6.5212; 4.998
90; 90; 90
615.13Wójcik, Grażyna; Holband, Jolanta
Variable-temperature crystal structure studies of <i>m</i>-nitroaniline
Acta Crystallographica Section B, 2001, 57, 346-352
2103677 CIF
HKL
Paper
C8 H8 Cu N6 O6P c a 219.991; 8.531; 14.359
90; 90; 90
1223.9Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko
Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions
Acta Crystallographica Section B, 2001, 57, 288-295

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