Crystallography Open Database

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7111342 CIFC49 H59 Cl2 N9 O3P 6313.5462; 13.5462; 14.8813
90; 90; 120		2364.87Haberhauer, Gebhard; Oeser, Thomas; Rominger, Frank
A C3-symmetric molecular scaffold for the construction of large receptors
Chemical Communications, 2004, 2044-2045
7112029 CIFC33 H48 Fe N5 O6 S3P 6313.6656; 13.6656; 12.2841
90; 90; 120		1986.7Nathaniel S. Sickerman; Sonja M. Peterson; Joseph W. Ziller; A. S. Borovik
Synthesis, structure and reactivity of FeII/III-NH3 complexes bearing a tripodal sulfonamido ligand
Chem.Commun., 2014, 50, 2515
7112030 CIFC33 H48 Ga N5 O6 S3P 6313.645; 13.645; 12.2882
90; 90; 120		1981.4Nathaniel S. Sickerman; Sonja M. Peterson; Joseph W. Ziller; A. S. Borovik
Synthesis, structure and reactivity of FeII/III-NH3 complexes bearing a tripodal sulfonamido ligand
Chem.Commun., 2014, 50, 2515
7112844 CIFC92 H118 Ag3 B3 Cl4 F12 N12 O3P 6314.5393; 14.5393; 27.7615
90; 90; 120		5082.3Wang, Dehui; Zhang, Bingguang; He, Cheng; Wu, Pengyan; Duan, Chunying
A new chiral N-heterocyclic carbene silver(I) cylinder: synthesis, crystal structure and catalytic properties.
Chemical communications (Cambridge, England), 2010, 46, 4728-4730
7112845 CIFC47 H62 B3 F12 N7 OP 6317.0096; 17.0096; 11.8953
90; 90; 120		2980.5Wang, Dehui; Zhang, Bingguang; He, Cheng; Wu, Pengyan; Duan, Chunying
A new chiral N-heterocyclic carbene silver(I) cylinder: synthesis, crystal structure and catalytic properties.
Chemical communications (Cambridge, England), 2010, 46, 4728-4730
7114534 CIFC24 H15 Cl9 N6 O9P 6314.6173; 14.6173; 8.3838
90; 90; 120		1551.3Jetti, Ram K. R.; Thallapally, Praveen K.; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C. W.
2,4,6-Tris(4-nitrophenoxy)-1,3,5-triazine: a hexagonal host framework stabilised by the NO2-trimer supramolecular synthon
Chemical Communications, 2002, 952
7114838 CIFC27 H15 Cl3 I3 N3 O3P 6315.4817; 15.4817; 7.0107
90; 90; 120		1455.22Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W.
Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo)
Chemical Communications, 2001, 919
7114839 CIFC27 H15 Br6 N3 O3P 6315.442; 15.442; 6.9909
90; 90; 120		1443.7Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W.
Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo)
Chemical Communications, 2001, 919
7114840 CIFC27 H15 Br3 I3 N3 O3P 6315.6268; 15.6268; 7.0464
90; 90; 120		1490.2Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W.
Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo)
Chemical Communications, 2001, 919
7115027 CIFC21 H27 K Mn O1.5P 639.086; 9.086; 19.164
90; 90; 120		1370.1Bond, Andrew D.; Layfield, Richard A.; MacAllister, Judith A.; Rawson, Jeremy M.; Wright, Dominic S.; McPartlin, Mary
The first observation of the [Cp3Mn]‒ anion; structures of hexagonal [(η2-Cp)3MnK·1.5thf] and ion-separated [(η2-Cp)3Mn]2[Mg(thf)6]·2thf
Chemical Communications, 2001, 1956
7116732 CIFC36 H24 Co3 N13 Na O15.25P 6313.1191; 13.1191; 16.014
90; 90; 120		2386.92Ru-Xin Yao; Xin Cui; Jun Wang; Xian-Ming Zhang
A homochiral magnet based on D3 symmetric [(NaO3)Co3] clusters: from spontaneous resolution to absolute chiral induction
Chem.Commun., 2015, 51, 5108
7116733 CIFC36 H27 Co3 N13 Na O15P 6313.1177; 13.1177; 16.005
90; 90; 120		2385.07Ru-Xin Yao; Xin Cui; Jun Wang; Xian-Ming Zhang
A homochiral magnet based on D3 symmetric [(NaO3)Co3] clusters: from spontaneous resolution to absolute chiral induction
Chem.Commun., 2015, 51, 5108
7117871 CIFC9 H16 Co N O5 PP 6318.3143; 18.3143; 6.1688
90; 90; 120		1791.9Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi
Homochiral metal phosphonate nanotubes.
Chemical communications (Cambridge, England), 2015, 51, 15141-15144
7117872 CIFC9 H16 Co N O5 PP 6318.288; 18.288; 6.168
90; 90; 120		1786.5Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi
Homochiral metal phosphonate nanotubes.
Chemical communications (Cambridge, England), 2015, 51, 15141-15144
7117873 CIFC9 H16 N Ni O5 PP 6318.0812; 18.0812; 6.1296
90; 90; 120		1735.5Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi
Homochiral metal phosphonate nanotubes.
Chemical communications (Cambridge, England), 2015, 51, 15141-15144
7117874 CIFC9 H16 N Ni O5 PP 6318.1621; 18.1621; 6.168
90; 90; 120		1762Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi
Homochiral metal phosphonate nanotubes.
Chemical communications (Cambridge, England), 2015, 51, 15141-15144
7118505 CIFC1.33 H9.77 Al B5 N1.33 O10.88P 6321.4013; 21.4013; 7.1696
90; 90; 120		2843.8Cao, Gao-Juan; Wei, Qi; Cheng, Jian-Wen; Cheng, Lin; Yang, Guo-Yu
A zeolite CAN-type aluminoborate with gigantic 24-ring channels.
Chemical communications (Cambridge, England), 2016, 52, 1729-1732
7118830 CIFC192 H240 B6.25 F25 Fe4 N38P 6340.6845; 40.6845; 34.133
90; 90; 120		48929Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo
Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties.
Chemical communications (Cambridge, England), 2016, 52, 4796-4799
7119024 CIFC61.4 H43.6 Cl4 N2 O6.2P 6329.44; 29.44; 11.679
90; 90; 120		8766Midori Nagamoto; Daisuke Yamauchi; Takahiro Nishimura
Iridium-catalyzed asymmetric [3+2] annulation of aromatic ketimines with alkynes via C-H activation: unexpected inversion of the enantioselectivity induced by protic acids
Chem.Commun., 2016, 52, 5876
7122954 CIFC9 H16 Fe N O5 PP 6318.3354; 18.3354; 6.1492
90; 90; 120		1790.32Jia, Jia-Ge; Feng, Jian-Shen; Huang, Xin-Da; Bao, Song-Song; Zheng, Li-Min
Homochiral Iron(II)-based metal-organic nanotubes: metamagnetism and selective nitric oxide adsorption in confined channel
Chemical Communications, 2019
7122955 CIFC9 H16 Fe N O5 PP 6318.4179; 18.4179; 6.1607
90; 90; 120		1809.84Jia, Jia-Ge; Feng, Jian-Shen; Huang, Xin-Da; Bao, Song-Song; Zheng, Li-Min
Homochiral Iron(II)-based metal-organic nanotubes: metamagnetism and selective nitric oxide adsorption in confined channel
Chemical Communications, 2019
7123192 CIFC3 H15 Cl O25 Y8P 639.5089; 9.5089; 14.673
90; 90; 120		1148.97Zhang, Yiting; Long, Ying; Dong, Xuehua; Wang, Lei; Huang, Ling; Zeng, Hongmei; Lin, Zhien; Wang, Xin; Zou, Guohong
Y8O(OH)15(CO3)3Cl: An Excellent Short-Wave UV Nonlinear Optical Material Exhibiting Infrequent Three-Dimensional Inorganic Cationic Framework
Chemical Communications, 2019
7123736 CIFC51 H54 N6 O9P 6319.4557; 19.4557; 7.0842
90; 90; 120		2322.28Basuyaux, Gaëtan; Desmarchelier, Alaric; Gontard, Geoffrey; Vanthuyne, Nicolas; Moussa, Jamal; Amouri, Hani Haniel; Raynal, Matthieu; Bouteiller, Laurent
Extra hydrogen bonding interactions by peripheral indole groups stabilize benzene-1,3,5-tricarboxamide helical assemblies
Chemical Communications, 2019
7124713 CIFC36 H41 N3 O10 S3P 6314.5223; 14.5223; 10.2703
90; 90; 120		1875.8Fowler, Jonathan M.; Thorp-Greenwood, Flora L; Warriner, Stuart L.; Willans, Charlotte E.; Hardie, Michaele J.
M12L8 metallo-supramolecular cube with cyclotriguaiacylene-type ligand: spontaneous resolution of cube and its constituent host ligand.
Chemical communications (Cambridge, England), 2016, 52, 8699-8702
7127011 CIFC55 H92 Li N4 O4 P3 SnP 6313.6945; 13.6945; 18.3276
90; 90; 120		2976.7Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.
Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate.
Chemical communications (Cambridge, England), 2020, 56, 11030-11033
7128362 CIFC42.75 H51 N6 O0.75P 6320.45; 20.45; 5.9423
90; 90; 120		2152.1He, Donglin; Clowes, Rob; Little, Marc A.; Liu, Ming; Cooper, Andrew I.
Creating porosity in a trianglimine macrocycle by heterochiral pairing.
Chemical communications (Cambridge, England), 2021, 57, 6141-6144
7129930 CIFC41 H77 Ca Cu6 N6 O33 S6 VP 6317.8884; 17.8884; 12.8853
90; 90; 120		3570.8Negro, Cristina; Bilanin Artigado, Cristina; Qu, Xiaoni; Oliver-Meseguer, Judit; Ferrando-Soria, Jesús; Leyva-Perez, Antonio; Armentano, Donatella; Pardo, Emilio
Epoxidation vs. dehydrogenation of allylic alcohols: Heterogenization of the VO(acac)2 catalyst in a metal-organic framework
Chemical Communications, 2022
7131143 CIFC18 H27 B2 Co F8 N12 P SP 639.9868; 9.9868; 16.0438
90; 90; 120		1385.77Landart-Gereka, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Díaz-Ortega, Ismael F; Nojiri, Hiroyuki; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique
Pushing up the easy-axis magnetic anisotropy and relaxation times in trigonal prismatic Co<sup>II</sup> mononuclear SMMs by molecular structure design.
Chemical communications (Cambridge, England), 2023, 59, 952-955
7131144 CIFC18 H27 Cl2 Co N12 O8 P SP 6310.1198; 10.1198; 16.131
90; 90; 120		1430.7Landart-Gereka, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Díaz-Ortega, Ismael F; Nojiri, Hiroyuki; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique
Pushing up the easy-axis magnetic anisotropy and relaxation times in trigonal prismatic Co<sup>II</sup> mononuclear SMMs by molecular structure design.
Chemical communications (Cambridge, England), 2023, 59, 952-955
7131318 CIFCl2 Ge3 Li0 S9 Sr4P 639.5194; 9.5194; 11.726
90; 90; 120		920.24Song, Yufei; Qian, Zhen; Zhou, Boru; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Wu, Hongping
A non-centrosymmetric chalcohalide synthesized through the combination of chemical tailoring with aliovalent substitution.
Chemical communications (Cambridge, England), 2023, 59, 3309-3312
7132462 CIFC9 H15 F3 O3P 6311.4469; 11.4469; 4.7028
90; 90; 120		533.66Haridas, Shyamkumar V.; von Delius, Max
Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol.
Chemical communications (Cambridge, England), 2024, 60, 606-609
7150409 CIFC47 H42 F18 N7 P3P 6311.9328; 11.9328; 20.0477
90; 90; 120		2472.18Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.
Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.
Organic & biomolecular chemistry, 2006, 4, 781-786
7150820 CIFC11 H16 O4P 6314.3428; 14.3428; 8.9246
90; 90; 120		1589.96Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.
The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles
Organic & Biomolecular Chemistry, 2008, 6, 693-702
7150878 CIFC18 H28 N2 O3P 6321.127; 21.127; 7.5223
90; 90; 120		2907.7Matsuhira, Takashi; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu
Manipulation of an intramolecular NH⋯O hydrogen bond by photoswitching between stable E/Z isomers of the cinnamate framework
Organic & Biomolecular Chemistry, 2008, 6, 1926-1933
7200897 CIFBi2.5 F0.1 H0.9 Na2.5 O12.9 P3P 639.5049; 9.5049; 6.9484
90; 90; 120		543.64Zhou, Yan; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao
Single-crystal microtubes of a novel apatite-type compound, (Na2.5Bi2.5)(PO4)3(F,OH), with well-faceted hexagonal cross sections
CrystEngComm, 2009, 11, 1863
7201779 CIFC26 H41 Cr Mn N3 O14P 639.41; 9.41; 17.809
90; 90; 120		1365.7Coronado, Eugenio; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Romero, Francisco M.; Tarazón, Ana
Layered ferromagnets hosting tetraalkylammonium-substituted nitronyl nitroxide free radicals
Journal of Materials Chemistry, 2008, 18, 929
7202508 CIFI3 In O9P 639.541; 9.541; 5.266
90; 90; 120		415.14Phanon, Delphine; Mosset, Alain; Gautier-Luneau, Isabelle
New materials for infrared non-linear optics. Syntheses, structural characterisations, second harmonic generation and optical transparency of M(IO3)3 metallic iodates
Journal of Materials Chemistry, 2007, 17, 1123
7202572 CIFLa8.898 O25.96 Si6P 639.725; 9.725; 7.189
90; 90; 120		588.814Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.
Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates
Journal of Materials Chemistry, 2007, 17, 2078
7202573 CIFBa1.076 La8.924 O25.869 Si6P 639.74; 9.74; 7.267
90; 90; 120		597.04Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.
Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates
Journal of Materials Chemistry, 2007, 17, 2078
7202574 CIFLa8.898 O25.886 Si6 SrP 639.705; 9.705; 7.215
90; 90; 120		588.516Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.
Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates
Journal of Materials Chemistry, 2007, 17, 2078
7202575 CIFCa1.258 La8.742 O25.879 Si6P 639.68; 9.68; 7.161
90; 90; 120		581.106Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.
Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates
Journal of Materials Chemistry, 2007, 17, 2078
7203310 CIFC18 H9 Cl3 N6 O3P 6317.249; 17.249; 12.0227
90; 90; 120		3097.9Saha, Binoy K.; Nangia, Ashwini
Self-assembled organic tubular host for van der Waals guest inclusion
CrystEngComm, 2006, 8, 440
7203794 CIFC3 H15 N6 P SP 639.1213; 9.1213; 7.1103
90; 90; 120		512.31Chandrasekhar, Vadapalli; Azhakar, Ramachandran
A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}
CrystEngComm, 2005, 7, 346
7207235 CIFC34 H42 B4 Cu4 F16 N12 O6P 6314.384; 14.384; 15.215
90; 90; 120		2726.2Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu
Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents
CrystEngComm, 2012, 14, 1345
7216066 CIFC48 H44 B Cu6 F4 I5 N12 O S6P 6313.5662; 13.5662; 20.1867
90; 90; 120		3217.5Peng, Rong; Wu, Tao; Li, Dan
A chiral coordination polymer containing copper(i) iodide layer composed of intersecting [CuI]n helices
CrystEngComm, 2005, 7, 595
7216096 CIFC30 H24 N6 O6P 6315.393; 15.393; 6.6615
90; 90; 120		1366.9Süss, Heike I.; Neels, Antonia; Hulliger, J.
2,4,6-Tris(4-cyanophenoxy)-1,3,5-triazine (CNPOT): Trigonal synthons in crystal engineering
CrystEngComm, 2005, 7, 370
7218067 CIFC3 H7 N O6 ZnP 6312.5946; 12.5946; 8.2087
90; 90; 120		1127.65Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.
Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework
CrystEngComm, 2015, 17, 370
7220709 CIFFe0.5 Ge La3 Se7P 6310.7186; 10.7186; 6.0797
90; 90; 120		604.91He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang
Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7
RSC Adv., 2015
7220710 CIFGa La3 Mn Se7P 6310.5894; 10.5894; 6.3458
90; 90; 120		616.25He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang
Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7
RSC Adv., 2015
7220711 CIFCe3 Fe0.5 Se7 SiP 6310.638; 10.638; 6.0079
90; 90; 120		588.81He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang
Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7
RSC Adv., 2015
7220712 CIFCe3 Mn0.5 Se7 SiP 6310.6684; 10.6684; 6.0127
90; 90; 120		592.65He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang
Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7
RSC Adv., 2015
7220713 CIFFe0.5 Se7 Si Sm3P 6310.4075; 10.4075; 5.9566
90; 90; 120		558.76He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang
Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7
RSC Adv., 2015
7220714 CIFGe Mn0.5 Se7 Sm3P 6310.3958; 10.3958; 6.0175
90; 90; 120		563.2He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang
Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7
RSC Adv., 2015
7223475 CIFC21 H33 B2 Cu F8 N9P 6311.0381; 11.0381; 13.102
90; 90; 120		1382.47Gotzmann, Carla; Braun, Friederike; Bartholomä, Mark D
Synthesis,64Cu-labeling and PET imaging of 1,4,7-triazacyclononane derived chelators with pendant azaheterocyclic arms
RSC Adv., 2015
7224613 CIFC36 H176 N9 Na9 O223 Se6 Sn6 W54P 6327.5538; 27.5538; 22.0582
90; 90; 120		14503.2Chen, Wei-Chao; Qin, Chao; Wang, Xin-Long; Wu, Cai-Xia; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo
Trimeric hexa-dimethyltin-functionalized selenotungstate [{Sn(CH3)2(CH3COO)}3{Sn(CH3)2}3{Se2W18O62(OH)(H2O)}3]18−
CrystEngComm, 2016, 18, 2820
7226302 CIFAg3 F O15 Se4 Ti3P 6312.8975; 12.8975; 5.218
90; 90; 120		751.7Qian, Cheng; Kong, Fang; Mao, Jianggao
A Series of New Silver Selenites with d0-TM Cations
RSC Adv., 2016
7227107 CIFC3 H8 Fe N2 O6P 637.946; 7.946; 7.618
90; 90; 120		416.6Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).
Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663
7227108 CIFC3 H8 Mn N2 O6P 637.988; 7.988; 7.807
90; 90; 120		431.4Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).
Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663
7227711 CIFC24 H20.67 Br N O4.33P 6326.744; 26.744; 4.997
90; 90; 120		3095.2Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.
Halogen bonding modulates hydrogel formation from Fmoc amino acids
CrystEngComm, 2017, 19, 1870
7227714 CIFC24 H20.67 I N O4.33P 6326.878; 26.878; 4.999
90; 90; 120		3127.6Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.
Halogen bonding modulates hydrogel formation from Fmoc amino acids
CrystEngComm, 2017, 19, 1870
7229595 CIFB3.51 Ba7 F3.47 O10.53P 6311.18241; 11.18241; 7.2372
90; 90; 120		783.74Bekker, T. B.; Rashchenko, S. V.; Bakakin, V. V.; Seryotkin, Yu. V.; Fedorov, P. P.; Kokh, A. E.; Stonoga, S. Yu.
Phase formation in the BaB2O4‒BaF2‒BaO system and new non-centrosymmetric solid-solution series Ba7(BO3)4−xF2+3x
CrystEngComm, 2012, 14, 6910
7233735 CIFBa4 Cl Ge3 Na S10P 639.7653; 9.7653; 12.0581
90; 90; 120		995.82Kai Feng; Lei Kang; Zheshuai Lin; Jiyong Yao; Yicheng Wu
Noncentrosymmetric chalcohalide NaBa4Ge3S10Cl with large band gap and IR NLO response
Journal of Materials Chemistry C, 2014, 2, 4590-4596
7236547 CIFC36 H78 Ca Cu6 N6 O34P 6317.783; 17.783; 12.889
90; 90; 120		3529.9Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio
Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs
Journal of Materials Chemistry A, 2017, 5, 11032
7236548 CIFC42 H86 Ca Cu6 N6 O32P 6317.603; 17.603; 13.045
90; 90; 120		3501Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio
Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs
Journal of Materials Chemistry A, 2017, 5, 11032
7239516 CIFC54 H60 N18 O42 P10 Zn9P 6315.6464; 15.6464; 19.7878
90; 90; 120		4195.2Zhang, Jie; Yao, Zhenguo; Liao, Shijun; Dai, Jingcao; Fu, Zhiyong
A hybrid metal phosphate‒phosphite material grafted with electron deficient organic components showing interesting fluorescent and photosensitive properties
Journal of Materials Chemistry A, 2013, 1, 4945
7242250 CIFCd0.19 Cl0.61 Ga0.5 La1.5 S2.89P 6310.1788; 10.1788; 6.0633
90; 90; 120		544.04Lin, Feng; Luo, Mengjia; Wang, Ruiqi; Che, Xiangli; Huang, Fuqiang
La6Cd0.75Ga2Q11.5Cl2.5 (Q = S and Se): two new nonlinear optical chalcohalides with a large laser-induced damage threshold
CrystEngComm, 2021, 23, 2133-2137
7245901 CIFC27 H15 Br3 Cl3 N3 O3P 6315.25; 15.25; 6.8149
90; 90; 120		1372.6Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea
Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features
CrystEngComm, 2023, 25, 86-94
7247568 CIFC45 H63 Cu3 N6 O16 PP 6319.794; 19.794; 9.0285
90; 90; 120		3063.47Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang
Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties
CrystEngComm, 2023, 25, 6132-6136
7248827 CIFC21 H39 Cd2 Cl10 N3P 6316.7102; 16.7102; 6.8101
90; 90; 120		1646.82Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia
Homochiral Hybrid Hexagonal Antiperovskite Crystals [R and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)
CrystEngComm, 2024
7248829 CIFC21 H39 Cd2 Cl10 N3P 6316.8561; 16.8561; 6.8554
90; 90; 120		1686.9Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia
Homochiral Hybrid Hexagonal Antiperovskite Crystals [R and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)
CrystEngComm, 2024
7701871 CIFC9 H20 Cl Fe N3 O10 P3 Zn2P 638.9323; 8.9323; 13.2617
90; 90; 120		916.34Liu, Sheng-Bo; Bao, Song-Song; Zheng, Li-Min
Polar layered coordination polymers incorporating triazacyclononane-triphosphonate metalloligands.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 3758-3765
7702539 CIFC37 H55 N3 Si3P 6318.392; 18.392; 19.655
90; 90; 120		5758Renner, Patrick; Galka, Christian H.; Gade, Lutz H.; Radojevic, Sanja; McPartlin, Mary
Synthesis and structural characterization of a novel C3-chiral triamine and its trilithium triamide
Journal of the Chemical Society, Dalton Transactions, 2001, 964
7704916 CIFC6 H5 Cl Cu N O2 SP 6315.8563; 15.8563; 6.565
90; 90; 120		1429.45Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara
Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 10545-10553
7704917 CIFC6 H5 Cl Cu N O2 SP 6315.8563; 15.8563; 6.565
90; 90; 120		1429.45Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara
Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 10545-10553
7708715 CIFC52 H48.75 Fe I3 P2.25P 6315.8388; 15.8388; 46.513
90; 90; 120		10105.3Reiß, Andreas; Donsbach, Carsten; Feldmann, Claus
Insights into the naphthalenide-driven synthesis and reactivity of zerovalent iron nanoparticles
Dalton Transactions, 2021
7709027 CIFC26 H36 F6 Fe N18 O6 S2P 6319.5869; 19.5869; 19.0349
90; 90; 120		6324.3Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian
Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2
Dalton Transactions, 2021
7709029 CIFC26 H36 F6 Fe N18 O6 S2P 6319.0423; 19.0423; 19.1734
90; 90; 120		6021Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian
Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2
Dalton Transactions, 2021
7709030 CIFC26 H36 F6 Fe N18 O6 S2P 6319.05; 19.05; 19.0504
90; 90; 120		5987.21Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian
Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2
Dalton Transactions, 2021
7709031 CIFC26 H36 F6 Fe N18 O6 S2P 6319.4504; 19.4504; 18.729
90; 90; 120		6136.24Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian
Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2
Dalton Transactions, 2021
7709140 CIFAl2 Ba O4P 6310.47; 10.47; 8.819
90; 90; 120		837.227Yin, Xiaomeng; Lin, Hui; Zhang, Dawei; Hong, Ruijin; Tao, Chunxian; Han, Zhaoxia; Zhou, Shengming; Zhang, Zhi-Jun; Zheng, Guanhaoije
BaAl<sub>2</sub>O<sub>4</sub>:Eu<sup>2+</sup>-Al<sub>2</sub>O<sub>3</sub> ceramics for wide range optical temperature sensing.
Dalton transactions (Cambridge, England : 2003), 2022, 51, 1784-1790
7711569 CIFBi12.89 Br2.85 S17.15P 6315.473; 15.473; 4.0041
90; 90; 120		830.2Amarasinghe, Dinesh K.; Yox, Philip; Viswanathan, Gayatri; Adeyemi, Adedoyin N.; Kovnir, Kirill
Modulation of transport properties via S/Br substitution: solvothermal synthesis, crystal structure, and transport properties of Bi13S17Br3
Dalton Transactions, 2022
7711914 CIFC36 H130 Cl0.5 Fe3 N9 Na0.5 O88 P2 W15P 6316.376; 16.376; 25.646
90; 90; 120		5956.2Izarova, Natalya V.; Faassen, Fabian; Kögerler, Paul
Tris-decorated multi-iron polyoxotungstates.
Dalton transactions (Cambridge, England : 2003), 2023, 52, 546-550
7713114 CIFC27 H22 Fe2 O6 P S6P 6310.0805; 10.0805; 17.8516
90; 90; 120		1570.98Taniai, Ryosuke; Endo, Tsubasa; KANETOMO, Takuya; Okazawa, Atsushi; Kadobayashi, Hirokazu; Kawaguchi, Saori I.; Enomoto, Masaya
57Fe Mössbauer Spectroscopy and High-Pressure Structural Analysis for Mechanism of Pressure-Induced Unique Magnetic Behaviour in (cation)[FeIIFeIII(dto)3] (cation = Ph4P and nPrPh3P; dto = 1,2-dithiooxalato)
Dalton Transactions, 2023
7713986 CIFC45 H60 N3 Ni3 P3P 6315.101; 15.101; 12.0727
90; 90; 120		2384.2SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey
Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction
Dalton Transactions, 2023
7714454 CIFC30 H58 N6 O30 S6 Sr Zn6P 6318.5594; 18.5594; 11.7771
90; 90; 120		3513.2Bilanin Artigado, Cristina; Escamilla, Paula; Ferrando-Soria, Jesús; Leyva-Perez, Antonio; Armentano, Donatella; Pardo, Emilio
Selective cycloaddition of ethylene oxide to CO2 within the confined space of an amino acid-based metal-organic framework
Dalton Transactions, 2023
7714978 CIFC33 H42 Cl Mo12 N9 O43 PP 6314.4362; 14.4362; 18.673
90; 90; 120		3370.16Chen, Yue-Chen; Di, Yi-Ming; Zhang, Shu-Quan; Lin, Mei-Jin
Polyoxometalate/<i>s</i>-triazine hybrid heterostructures with ultrafast photochromic properties.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 3215-3223
7715512 CIFCr I3 O9P 639.1319; 9.1319; 5.2815
90; 90; 120		381.43Chi, Yang; Xin, Mei-Ling
Chromium iodate: the structure and origin of optical second harmonic generation.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7093-7099
8000112 CIFC20 H60 Cl4 Co2 N9 Na O22 Pt2 S5P 6319.879; 19.879; 22.926
90; 90; 120		7846Igashira-Kamiyama, Asako; Fujioka, Junji; Kodama, Tomoki; Kawamoto, Tatsuya; Konno, Takumi
Anion-controlled Preparation of Chiral S-Bridged CoIIIPtII2 and CoIII2PtII2 Complexes Consisting of [Co(D-penicillaminato-N,O,S)2]− and [Pt(CH3NH2)2]2+ Units
Chemistry Letters, 2006, 35, 522
8102907 CIFAl La3 Mn Se7P 6310.678; 10.678; 6.12
90; 90; 120		604.3L.-B. Wu; F.-Q. Huang
Crystal structure of trilanthanum manganese aluminum heptaselenide, La~3~Mn~0.73~AlSe~7~
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 305-306
8102914 CIFAg La3 S7 SiP 6310.421; 10.421; 5.785
90; 90; 120		544.1L.-B. Wu; F.-Q. Huang
Crystal structure of trilanthanum monosilver monosilicon heptasulfide, La~3~AgSiS~7~
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 307-308
8103628 CIFC H4 Al6 Ca Na6 O29 Si6P 6312.75; 12.75; 5.14
90; 90; 120		723.626Jarchow, O.
Atomanordnung und Strukturverfeinerung von Cancrinit
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1965, 122, 407-422
8103755 CIFBa Fe Ga O4P 6310.8377; 10.8377; 8.6865
90; 90; 120		883.588Kahlenberg, V.; Parise, J.B.; Lee, Y.; Tripathi, A.
Characterization of the stuffed framework structures Ba Al Ga O4 and Ba Fe Ga O4
Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 249-255
8103847 CIFC1.4 H5.76 Al6 Na7.6 O30.48 Si6P 6312.725; 12.725; 5.177
90; 90; 120		725.98Gesing, T.M.; Buhl, J.C.
Structure and spectroscopic properties of hydrogencarbonate containing alumosilicate sodalite and cancrinite
Zeitschrift fuer Kristallographie (149,1979-), 2000, 215, 413-418
8104186 CIFAl3.52 K Na3 O16 Si4.48P 6310.06; 10.06; 8.42
90; 90; 120		737.97Foreman, N.; Peacor, D.R.
Refinement of the nepheline structure at several temperatures
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1970, 132, 45-70
8104308 CIFN4 Si3P 6313.155; 13.155; 8.706
90; 90; 120		1304.76Hartmann, P.
A uniform description of phenakite type structures as superstructures of beta-Si3N4
Zeitschrift fuer Kristallographie (149,1979-), 1989, 187, 139-143
8104311 CIFAl7.2 Na7.15 O32 Si8.8P 639.958; 9.958; 8.341
90; 90; 120		716.297Hippler, B.; Boehm, H.
Structure investigation on sodium-nephelines
Zeitschrift fuer Kristallographie (149,1979-), 1989, 187, 39-53
8104372 CIFAl22 Ba12.6666 O66 Si10P 639.955; 9.955; 18.59
90; 90; 120		1595.48Gebert, W.
Die Kristallstruktur von Ba13 Al22 Si10 O66
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1972, 135, 437-452
8104950 CIFC25.71 H32.57 N9.86 O15 P3 Ru3 S3P 6337.24213; 37.24213; 11.64828
90; 90; 120		13991.4Ebong, Wisdom; Muniz, Alexandra E.; Khan, David R.; Unruh, Daniel K.; Yarbrough, Jason C.
Synthesis and crystal structure of nonacarbonyltris[(2-thia-1,3,5-triaza-7-phosphatricylco[3.3.1.1]decane-κ1 P)-2,2-dioxide]triruthenium(0) – acetonitrile (7/6), C25.71H32.57N9.86O15P3S3Ru3
Zeitschrift für Kristallographie - New Crystal Structures, 2022, 237, 17-21
9000287 CIFAl3.6 K Na3 O15.999 Si4.4P 6310.003; 10.003; 8.381
90; 90; 120		726.251Simmons, W. B.; Peacor, D. R.
Refinement of the crystal structure of a volcanic nepheline
American Mineralogist, 1972, 57, 1711-1719
9000484 CIFAl9 B Ca O18 ZrP 638.715; 8.715; 8.472
90; 90; 120		557.252Moore, P. B.; Araki, T.
Painite, CaZrB[Al9O18]: Its crystal structure and relation to jeremejevite, B5[X3Al6(OH)3O15], and fluoborite, B3[Mg9(F,OH)9O9]
American Mineralogist, 1976, 61, 88-94

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