Crystallography Open Database

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7222371 CIFC21 H30 Cu O9P b c a10.6479; 12.8941; 32.484
90; 90; 90
4459.9Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong
pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes
CrystEngComm, 2015, 17, 8216
7222372 CIFC34 H31 Cu N3 O4I 41/a c d :231.962; 31.962; 12.6995
90; 90; 90
12973.4Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong
pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes
CrystEngComm, 2015, 17, 8216
7222373 CIFC53 H47 Cu2 N3 O8C 1 2/m 111.0623; 22.07; 10.3481
90; 108.293; 90
2398.8Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong
pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes
CrystEngComm, 2015, 17, 8216
7222397 CIFC102 H78.5 B2 Co Fe2 N6 O2P 1 21/c 121.9124; 28.8956; 26.8085
90; 108.904; 90
16058.8Bovill, Sally M.; Saines, Paul J.
Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates
CrystEngComm, 2015, 17, 8319
7222398 CIFC109 H94 Co2 F36 Fe4 N12 O4.5 P6P -112.6886; 13.1123; 19.4242
81.413; 75.481; 71.412
2956.84Bovill, Sally M.; Saines, Paul J.
Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates
CrystEngComm, 2015, 17, 8319
7222437 CIFC46.25 H55.75 N20.38 Ni3 O12.38I -4 3 m23.29; 23.29; 23.29
90; 90; 90
12633Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He
Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption
CrystEngComm, 2015, 17, 8198
7222438 CIFC38 H40 Co3 N18 O9I -4 3 m23.57; 23.57; 23.57
90; 90; 90
13094Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He
Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption
CrystEngComm, 2015, 17, 8198
7222439 CIFC33 H29 Au Cl2 N2 O3P 1 21 14.92; 15.711; 18.775
90; 92.98; 90
1449.3Siu, Steven Kin-Lok; Po, Charlotte; Yim, King-Chin; Au, Vonika Ka-Man; Yam, Vivian Wing-Wah
Synthesis, characterization and spectroscopic studies of luminescentl-valine modified alkynyl-based cyclometalated gold(iii) complexes with gelation properties driven by π‒π stacking, hydrogen bonding and hydrophobic‒hydrophobic interactions
CrystEngComm, 2015, 17, 8153
7222443 CIFC12 H72 Be12 N8 O54 P16P 63/m18.0026; 18.0026; 13.3316
90; 90; 120
3741.82Wang, Guo-Ming; Li, Jin-Hua; Wei, Li; Han, Song-De; Zhao, Xiao-Meng; Bao, Zhen-Zhen
An open-framework beryllium phosphite with extra-large 18-ring channels
CrystEngComm, 2015, 17, 8414
7222446 CIFC16 H13 N5 OP 1 21/c 120.803; 9.503; 14.7247
90; 100.224; 90
2864.7Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.
Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation
CrystEngComm, 2015, 17, 7130
7222447 CIFC16 H13 N5 OP 1 21/c 120.798; 9.502; 14.4536
90; 100.8; 90
2805.8Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.
Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation
CrystEngComm, 2015, 17, 7130
7222450 CIFC6 H5 Cl2 K O6P 1 21/c 19.986; 15.21; 6.35
90; 99.09; 90
952.4Molčanov, Krešimir; Stare, Jernej; Kojić-Prodić, Biserka; Lecomte, Claude; Dahaoui, Slimane; Jelsch, Christian; Wenger, Emmanuel; Šantić, Ana; Zarychta, Bartosz
A polar/πmodel of interactions explains face-to-face stacked quinoid rings: a case study of the crystal of potassium hydrogen chloranilate dihydrate
CrystEngComm, 2015, 17, 8645
7222451 CIFC16 H6 In O8P 42/m m c9.9843; 9.9843; 18.2816
90; 90; 90
1822.4Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun
Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials
CrystEngComm, 2015, 17, 8512
7222452 CIFC22 H19 In N2 O8P 21 21 219.7244; 17.0814; 9.9554
90; 90; 90
3354.18Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun
Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials
CrystEngComm, 2015, 17, 8512
7222459 CIFSnF d -3 m :16.467; 6.4665284; 6.4665284
90; 90; 90
270.42Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen
In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries
CrystEngComm, 2015, 17, 8500
7222460 CIFSnI 41/a m d :15.8393; 5.8392763; 3.1876
90; 90; 90
108.689Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen
In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries
CrystEngComm, 2015, 17, 8500
7222893 CIFC69.5 H66 Cd N4 O11.5 S2C 1 2/c 128.3363; 13.4618; 18.2577
90; 106.78; 90
6668Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin
Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF
CrystEngComm, 2015, 17, 8657
7222894 CIFC76 H70 Cd N4 O10 S2C 1 2/c 128.4411; 13.5404; 18.3193
90; 107.657; 90
6722.5Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin
Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF
CrystEngComm, 2015, 17, 8657
7222895 CIFC70 H64 Cd N4 O10 S2C 1 2/c 128.3542; 13.5093; 18.2748
90; 107.387; 90
6680.2Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin
Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF
CrystEngComm, 2015, 17, 8657
7222896 CIFC70 H64 Cd N4 O10 S2C 1 2/c 128.4302; 13.5048; 18.2481
90; 107.277; 90
6690.1Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin
Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF
CrystEngComm, 2015, 17, 8657
7222897 CIFC78 H74 Cd N4 O10 S2C 1 2/c 128.7379; 13.4646; 18.2108
90; 108.003; 90
6701.6Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin
Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF
CrystEngComm, 2015, 17, 8657
7222998 CIFC40 H30 Ag3 Co I5 N8P 1 21/c 115.3138; 23.0323; 14.3495
90; 115.858; 90
4554.5Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong
Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks
CrystEngComm, 2015, 17, 8752
7222999 CIFC72 H50 Ag11 Co2 I15 N12 OP 63/m14.8002; 14.8002; 24.789
90; 90; 120
4702.5Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong
Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks
CrystEngComm, 2015, 17, 8752
7223000 CIFC72 H78 Ag13 Co2 I17 N12 O15P 21 322.7105; 22.7105; 22.7105
90; 90; 90
11713.3Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong
Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks
CrystEngComm, 2015, 17, 8752
7223001 CIFC144 H100 Ag24 Cu4 I33 N24 O2P 63/m14.868; 14.868; 25.012
90; 90; 120
4788.3Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong
Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks
CrystEngComm, 2015, 17, 8752
7223002 CIFC72 H78 Ag14 Cd2 I17 N12 O15I 21 322.9931; 22.9931; 22.9931
90; 90; 90
12156Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong
Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks
CrystEngComm, 2015, 17, 8752
7223003 CIFC144 H100 Ag24 Co4 I33 N24 O2P 63/m14.8402; 14.8402; 24.9918
90; 90; 120
4766.6Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong
Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks
CrystEngComm, 2015, 17, 8752
7223004 CIFC72 H78 Ag14 Co2 I17 N12 O15I 21 322.8119; 22.8119; 22.8119
90; 90; 90
11870.9Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong
Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks
CrystEngComm, 2015, 17, 8752
7223010 CIFC16 H13 N O7 ZnP -17.8996; 9.7188; 10.8839
97.916; 95.921; 113.064
750.09Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian
N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand
CrystEngComm, 2015, 17, 9155
7223011 CIFC29 H25 Cd N3 O6P -110.1604; 11.2134; 12.1942
102.647; 95.448; 107.156
1276.19Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian
N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand
CrystEngComm, 2015, 17, 9155
7223012 CIFC21 H13 Cd N2 O5P 1 21/n 19.952; 12.9516; 13.4675
90; 104.847; 90
1677.93Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian
N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand
CrystEngComm, 2015, 17, 9155
7223013 CIFC21 H13 N2 O5 ZnC 1 2/c 124.0555; 7.792; 18.1219
90; 100.783; 90
3336.8Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian
N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand
CrystEngComm, 2015, 17, 9155
7223014 CIFC88 H60 N8 O24 Zn4P 1 21/n 122.12; 17.647; 25.391
90; 97.171; 90
9834Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian
N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand
CrystEngComm, 2015, 17, 9155
7223015 CIFC28 H21 N3 O7 ZnP 1 21/c 19.5144; 18.7601; 13.7258
90; 92.244; 90
2448.05Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian
N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand
CrystEngComm, 2015, 17, 9155
7223016 CIFC26 H21 N3 O7 ZnP 1 21/c 18.6783; 18.8256; 14.1402
90; 91.928; 90
2308.84Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian
N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand
CrystEngComm, 2015, 17, 9155
7223033 CIFC98 H126 N6 Nd4 O40C 1 2/c 126.9021; 17.0746; 27.7311
90; 119.295; 90
11109Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun
A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound
CrystEngComm, 2015, 17, 9167
7223034 CIFC98 H126 N6 O40 Sm4C 1 2/c 126.836; 16.9273; 27.3958
90; 118.806; 90
10904.9Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun
A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound
CrystEngComm, 2015, 17, 9167
7223035 CIFC98 H126 Gd4 N6 O40C 1 2/c 126.8066; 16.8139; 27.5667
90; 119.657; 90
10797.3Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun
A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound
CrystEngComm, 2015, 17, 9167
7223036 CIFC76 H100 Dy4 N4 O34P -112.7298; 12.941; 14.4839
79.788; 74.518; 72.818
2184.2Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun
A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound
CrystEngComm, 2015, 17, 9167
7223037 CIFBr2 Co H15 N6 O2C 1 2/c 110.6807; 8.8299; 10.9759
90; 94.604; 90
1031.79Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
CrystEngComm, 2015, 17, 8812
7223038 CIFBr2 Co H15 N6 O2C 1 2/c 110.6575; 8.7649; 10.9567
90; 94.589; 90
1020.21Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
CrystEngComm, 2015, 17, 8812
7223039 CIFBr2 Co H15 N6 O2C 1 2/c 110.6184; 8.6082; 10.9307
90; 94.591; 90
995.92Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
CrystEngComm, 2015, 17, 8812
7223040 CIFBr2 Co H15 N6 O2C 1 2/c 110.6243; 8.403; 10.9113
90; 94.483; 90
971.14Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
CrystEngComm, 2015, 17, 8812
7223041 CIFBr2 Co H15 N6 O2C 1 2/c 110.6792; 8.0977; 10.9004
90; 94.192; 90
940.11Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
CrystEngComm, 2015, 17, 8812
7223042 CIFBr2 Co H15 N6 O2C 1 2/c 110.675; 7.8148; 10.8204
90; 93.829; 90
900.66Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
CrystEngComm, 2015, 17, 8812
7223043 CIFBr2 Co H15 N6 O2C 1 2/c 110.6557; 7.7006; 10.7594
90; 93.693; 90
881.03Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
CrystEngComm, 2015, 17, 8812
7223044 CIFBr2 Co H15 N6 O2C 1 2/c 110.6379; 7.6361; 10.7112
90; 93.601; 90
868.38Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
CrystEngComm, 2015, 17, 8812
7223045 CIFBr2 Co H15 N6 O2C 1 2/c 110.6148; 7.568; 10.6476
90; 93.508; 90
853.75Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
CrystEngComm, 2015, 17, 8812
7223046 CIFBr2 Co H15 N6 O2C 1 2/c 110.6023; 7.5308; 10.6049
90; 93.439; 90
845.21Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
CrystEngComm, 2015, 17, 8812
7223047 CIFBr2 Co H15 N6 O2C 1 2/c 110.5931; 7.4783; 10.5357
90; 93.3; 90
833.24Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.
A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation
CrystEngComm, 2015, 17, 8812

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