Crystallography Open Database

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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'

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2003157 CIF
Paper
Cl4 H18 N6 O8 Rb RuR -3 :H7.104; 7.104; 27.408
90; 90; 120
1197.9Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.
Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~
Acta Crystallographica Section B, 1998, 54, 613-625
2003158 CIF
Paper
Cl4 H18 N6 O8 Rb RuR -3 :H7.09; 7.09; 27.351
90; 90; 120
1190.7Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.
Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~
Acta Crystallographica Section B, 1998, 54, 613-625
2003159 CIF
Paper
Cl4 Cs H18 N6 O8 RuR -3 m :H7.311; 7.311; 27.513
90; 90; 120
1273.6Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.
Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~
Acta Crystallographica Section B, 1998, 54, 613-625
2003160 CIF
Paper
Cl4 Cs H18 N6 O8 RuR -3 :H7.29; 7.29; 27.282
90; 90; 120
1255.6Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.
Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~
Acta Crystallographica Section B, 1998, 54, 613-625
2003161 CIF
Paper
Cl4 Cr Cs H18 N6 O8R -3 m :H7.323; 7.323; 27.599
90; 90; 120
1281.7Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.
Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~
Acta Crystallographica Section B, 1998, 54, 613-625
2003162 CIF
Paper
Cl4 Cr Cs H18 N6 O8R -3 :H7.294; 7.294; 27.311
90; 90; 120
1258.3Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.
Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~
Acta Crystallographica Section B, 1998, 54, 613-625
2003163 CIF
Paper
Br2 Cl2 Cr Cs H18 N6 O8R -3 m :H7.413; 7.413; 27.78
90; 90; 120
1322.1Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.
Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~
Acta Crystallographica Section B, 1998, 54, 613-625
2003164 CIF
Paper
Br2 Cl2 Cr Cs H18 N6 O8R -3 :H7.369; 7.369; 27.578
90; 90; 120
1296.9Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.
Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~
Acta Crystallographica Section B, 1998, 54, 613-625
2003165 CIF
HKL
Paper
C22 H48 Cl2 N6 O8 ZnC 1 2/c 110.191; 17.678; 17.754
90; 99.42; 90
3155Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M.
Four-component intergrowth structures of the metal-ion cage complexes <i>fac</i>-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)<i>M</i>^II^ diperchlorate hydrate, [<i>M</i>(C~22~H~48~N~6~)](ClO~4~)~2~.<i>x</i>H~2~O, <i>M</i> = Ni, Zn
Acta Crystallographica Section B, 1999, 55, 380-388
2003166 CIF
HKL
Paper
C22 H48 Cl2 N6 Ni O8C 1 2/c 110.177; 17.648; 17.605
90; 99.7; 90
3116.7Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M.
Four-component intergrowth structures of the metal-ion cage complexes <i>fac</i>-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)<i>M</i>^II^ diperchlorate hydrate, [<i>M</i>(C~22~H~48~N~6~)](ClO~4~)~2~.<i>x</i>H~2~O, <i>M</i> = Ni, Zn
Acta Crystallographica Section B, 1999, 55, 380-388
2003173 CIF
Paper
Ca7 O36 Ta6 Zr7F d d d :236.394; 7.3674; 31.006
90; 90; 90
8313.6Schmid, Siegbert; Thompson, John G.; Withers, Ray L.; Ling, Christopher D.; Ishizawa, Nobuo; Kishimoto, Shunji
The crystal structure of Ca~7~Zr~7~Ta~6~O~36~ refined using synchrotron-radiation data
Acta Crystallographica Section B, 1999, 55, 313-320
2017772 CIF
HKL
Paper
Ga5.61 La3 O14 Ta0.41P 3 2 18.224; 8.224; 5.126
90; 90; 120
300.2Chitra, R.; Choudhury, R. R.
Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study
Acta Crystallographica Section B, 2010, 66, 497-502
2017773 CIF
HKL
Paper
Ga5.34 La3 O14 Si0.36 Ta0.29P 3 2 18.195; 8.195; 5.118
90; 90; 120
297.7Chitra, R.; Choudhury, R. R.
Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study
Acta Crystallographica Section B, 2010, 66, 497-502
2017774 CIF
HKL
Paper
Ga5.48 La3 O14 Ta0.03 Zr0.5P 3 2 18.256; 8.256; 5.141
90; 90; 120
303.5Chitra, R.; Choudhury, R. R.
Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study
Acta Crystallographica Section B, 2010, 66, 497-502
2017775 CIF
HKL
Paper
C41 H77.77 N2 O15.88P 21 21 2111.624; 16.748; 24.018
90; 90; 90
4675.8Holstein, J. J.; Luger, P.; Kalinowski, R.; Mebs, S.; Paulman, C.; Dittrich, B.
Validation of experimental charge densities: refinement of the macrolide antibiotic roxithromycin
Acta Crystallographica Section B, 2010, 66, 568-577
2017776 CIF
Paper
C22 H8 Br2 O2P 1 21/c 13.865; 19.424; 10.113
90; 92.56; 90
758.5Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M.
Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones
Acta Crystallographica Section B, 2010, 66, 515-526
2017777 CIF
Paper
C22 H8 I2 O2P 1 21/c 14.202; 20.956; 9.276
90; 100.63; 90
802.8Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M.
Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones
Acta Crystallographica Section B, 2010, 66, 515-526
2017778 CIF
Paper
C22 H8 Cl2 O2P -13.795; 9.527; 10.662
105.78; 93.27; 95.26
368.04Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M.
Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones
Acta Crystallographica Section B, 2010, 66, 515-526
2017779 CIF
Paper
C24 H30 N6P -19.697; 12.2426; 13.9365
87.182; 81.257; 82.062
1618.9Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele
Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study
Acta Crystallographica Section B, 2010, 66, 527-543
2017780 CIF
Paper
C24 H30 N6P -19.8236; 9.9337; 12.1088
92.421; 98.77; 107.011
1112Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele
Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study
Acta Crystallographica Section B, 2010, 66, 527-543
2017781 CIF
Paper
C76 H96 N20 O0.68P -112.2369; 12.5634; 13.0094
87.378; 68.153; 79.441
1824.4Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele
Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study
Acta Crystallographica Section B, 2010, 66, 527-543
2017782 CIF
Paper
C H6 N O3 PP b c a8.977; 9.186; 10.003
90; 90; 90
824.9Janicki, Rafał; Starynowicz, Przemysław
Charge density distribution in aminomethylphosphonic acid
Acta Crystallographica Section B, 2010, 66, 559-567
2017783 CIF
HKL
Paper
C19 H35 Cl P RhP 1 21/n 18.43502; 13.97075; 16.67516
90; 103.563; 90
1910.26Sparkes, Hazel A.; Chaplin, Adrian B.; Weller, Andrew S.; Howard, Judith A. K.
Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C~7~H~8~)(P^<i>t^</i>Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl]
Acta Crystallographica Section B, 2010, 66, 503-514
2017784 CIF
HKL
Paper
C25 H41 Cl P RhP 1 21/n 110.21309; 15.82275; 14.64123
90; 97.7784; 90
2344.24Sparkes, Hazel A.; Chaplin, Adrian B.; Weller, Andrew S.; Howard, Judith A. K.
Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C~7~H~8~)(P^<i>t^</i>Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl]
Acta Crystallographica Section B, 2010, 66, 503-514
2019793 CIF
HKL
C11 H16 Cl N O2P c a 219.4272; 7.0774; 18.2519
90; 90; 90
1217.77Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019794 CIF
HKL
C11 H16 Cl N O2P c a 219.1478; 6.9826; 17.6799
90; 90; 90
1129.31Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019795 CIF
HKL
C11 H16 Cl N O2P c a 218.8661; 6.9379; 17.12
90; 90; 90
1053.1Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019796 CIF
HKL
C11 H16 Cl N O2P c a 218.4895; 6.8759; 16.6225
90; 90; 90
970.3Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019797 CIF
HKL
C11 H16 Cl N O2P c a 218.4043; 6.8578; 16.5271
90; 90; 90
952.54Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019798 CIF
HKL
C11 H16 Cl N O2P c a 218.3242; 6.8403; 16.447
90; 90; 90
936.49Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019799 CIF
HKL
C11 H16 Cl N O2P c a 218.3325; 6.814; 16.4416
90; 90; 90
933.5Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019910 CIF
HKL
Paper
C10 H19 N5 O5 SP -112.0229; 12.1092; 13.2095
98.921; 115.403; 108.241
1553.23Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas
Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019911 CIF
HKL
Paper
C10 H16 N5 O5.75 SP -110.2941; 10.9564; 14.3656
77.876; 86.712; 75.243
1531.84Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas
Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019912 CIF
HKL
Paper
C18 H22 N6 O5 SP 1 21/c 17.8329; 15.2433; 17.7173
90; 101.925; 90
2069.78Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas
Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2020509 CIF
HKL
Paper
C22 H23 N3 O4P 1 c 113.966; 12.991; 11.225
90; 100.931; 90
1999.6Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.
New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation
Acta Crystallographica Section B, 2016, 72, 291-300
2020510 CIF
HKL
C28 H33 N3 O8P 1 21/c 114.2922; 27.5; 7.0784
90; 90.467; 90
2782Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.
New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation
Acta Crystallographica Section B, 2016, 72, 291-300
2020511 CIF
HKL
C27 H33 N3 O9P -17.916; 14.012; 14.349
61.73; 79.64; 86.58
1378Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.
New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation
Acta Crystallographica Section B, 2016, 72, 291-300
2020512 CIF
HKL
C26 H31 N3 O9P 1 21/c 113.4269; 24.169; 8.0606
90; 92.41; 90
2613.5Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.
New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation
Acta Crystallographica Section B, 2016, 72, 291-300
2020513 CIF
HKL
C23 H27 N5 O5P c c n21.6051; 23.7024; 8.9076
90; 90; 90
4561.5Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.
New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation
Acta Crystallographica Section B, 2016, 72, 291-300
2020661 CIFH0.5 K1.5 Mg2 O7 Si2P 63/m c m5.0535; 5.0535; 13.2229
90; 90; 120
292.44Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J.
Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth
Acta Crystallographica Section B, 2016, 72, 822-827
2020662 CIFH0 K1.5 Mg2 O7 Si2C m c m8.7623; 5.0703; 13.2505
90; 90; 90
588.69Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J.
Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth
Acta Crystallographica Section B, 2016, 72, 822-827
2020711 CIF
HKL
F7 H12 Hf N3F m -3 m9.3964; 9.3964; 9.3964
90; 90; 90
829.63Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M.
Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~
Acta Crystallographica Section B, 2017, 73, 1-9
2020712 CIF
HKL
F5 H12 N3 O2 TiF m -3 m9.2327; 9.2327; 9.2327
90; 90; 90
787.021Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M.
Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~
Acta Crystallographica Section B, 2017, 73, 1-9
2020744 CIF
HKL
Paper
C12 H9 F N2 OP 1 21/n 19.7681; 10.5358; 10.574
90; 114.134; 90
993.1Sirohiwal, Abhishek; Hathwar, Venkatesha R.; Dey, Dhananjay; Regunathan, Roshni; Chopra, Deepak
Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73
2020862 CIF
HKL
Paper
C32 H22 Cu2 N0 O10P 42/m n m18.757; 18.757; 36.092
90; 90; 90
12698.1Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai
Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 613-610
2020863 CIF
HKL
C32 H22 N0 Ni3.17 O16F m -3 m40.9779; 40.9779; 40.9779
90; 90; 90
68810Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai
Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 613
2020864 CIF
HKL
Paper
C16 H24 Br4 Cu N2C 1 2/c 117.6373; 9.4076; 14.7798
90; 118.396; 90
2157.27Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.
The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60
2020865 CIF
HKL
Paper
C14 H20 Cl4 Cu N2P b c n16.9587; 7.8858; 13.8774
90; 90; 90
1855.87Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.
The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60
2020866 CIF
HKL
Paper
C14 H20 Br4 Cu N2C 1 2/c 114.551; 7.8249; 17.0624
90; 97.54; 90
1925.93Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.
The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60
2020867 CIF
HKL
Paper
C14 H20 Br4 Cu N2C 1 2/c 114.6041; 7.9883; 17.1986
90; 97.345; 90
1989.96Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.
The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60

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