file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
4,322,463 | 13.8223 | 0.0002 | 14.6926 | 0.0002 | 18.6259 | 0.0002 | 90 | null | 90 | null | 90 | null | 3,782.65 | 0.09 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C36 H50 Cs O6 P - | - C36 H50 Cs O6 P - | - C144 H200 Cs4 O24 P4 - | 4 | 1 | Gerd W. Rabe; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold | Highly Restricted Dimensionality in Cesium Aryl Phosphides | Inorganic Chemistry | 1,999 | 38 | 4342 | 4346 | 10.1021/ic9902119 | 0.71073 | MoKα | 0.0478 | 0.0397 | null | null | 0.1006 | 0.1063 | null | null | null | null | null | 1.697 | null | null | has coordinates | Gerd W. Rabe; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold
Highly Restricted Dimensionality in Cesium Aryl Phosphides
Inorganic Chemistry
38
(1999)
4342-4346 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,859 | 6.786 | 0.002 | 6.786 | 0.002 | 7.08 | 0.004 | 90 | null | 90 | null | 90 | null | 326 | null | null | null | null | null | null | null | null | null | 4 | P 4/n b m :1 | P 4 2 -1ab | 125 | Barium diargentodimercurate | - Ag2 Ba Hg2 O4 - | - Ag2 Ba Hg2 O4 - | - Ag4 Ba2 Hg4 O8 - | 2 | 0.125 | Soll, M; Mueller-Buschbaum, Hk | Das erste Erdalkalimetall-Argentato-Mercurat(II): Ba Ag2 Hg2 O4 | Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) | 1,991 | 122 | 915 | 920 | null | 0.047 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Soll, M; Mueller-Buschbaum, Hk
Das erste Erdalkalimetall-Argentato-Mercurat(II): Ba Ag2 Hg2 O4
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
122
(1991)
915-920 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,860 | 3.77 | 0.001 | 5.86 | 0.001 | 11.62 | 0.002 | 90 | null | 90 | null | 90 | null | 256.7 | null | null | null | null | null | null | null | null | null | 4 | I m m m | -I 2 2 | 71 | Barium cobalt gadolinium oxide (1/1/2/5) | - Ba Co Gd2 O5 - | - Ba Co Gd2 O5 - | - Ba2 Co2 Gd4 O10 - | 2 | 0.125 | Mevs, H; Mueller-Buschbaum, Hk | Ein Wechsel des Strukturtyps in den Oxiden Ba Co Gd2 O5, Ba Co Dy2 O5 und Ba Co Y2 O5 | Zeitschrift fuer Anorganische und Allgemeine Chemie | 1,989 | 573 | 128 | 132 | 10.1002/zaac.19895730113 | null | 0.089 | null | null | null | null | null | null | null | null | null | null | null | 2,002,134 | null | has coordinates | Mevs, H; Mueller-Buschbaum, Hk
Ein Wechsel des Strukturtyps in den Oxiden Ba Co Gd2 O5, Ba Co Dy2 O5 und Ba Co Y2 O5
Zeitschrift fuer Anorganische und Allgemeine Chemie
573
(1989)
128-132 | 287,519 | 2023-11-10 | 19:29:21 | #------------------------------------------------------------------------------
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2,002,861 | 3.755 | 0.001 | 5.798 | 0.004 | 11.514 | 0.01 | 90 | null | 90 | null | 90 | null | 250.7 | null | null | null | null | null | null | null | null | null | 4 | I m m m | -I 2 2 | 71 | Barium cobalt dysprosium oxide (1/1/2/5) | - Ba Co Dy2 O5 - | - Ba Co Dy2 O5 - | - Ba2 Co2 Dy4 O10 - | 2 | 0.125 | Mevs, H; Mueller-Buschbaum, Hk | Ein Wechsel des Strukturtyps in den Oxiden Ba Co Gd2 O5, Ba Co Dy2 O5 und Ba Co Y2 O5 | Zeitschrift fuer Anorganische und Allgemeine Chemie | 1,989 | 573 | 128 | 132 | 10.1002/zaac.19895730113 | null | 0.042 | null | null | null | null | null | null | null | null | null | null | null | 2,002,135 | null | has coordinates | Mevs, H; Mueller-Buschbaum, Hk
Ein Wechsel des Strukturtyps in den Oxiden Ba Co Gd2 O5, Ba Co Dy2 O5 und Ba Co Y2 O5
Zeitschrift fuer Anorganische und Allgemeine Chemie
573
(1989)
128-132 | 287,519 | 2023-11-10 | 19:29:21 | #------------------------------------------------------------------------------
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2,002,862 | 12.287 | 0.008 | 5.713 | 0.002 | 7.067 | 0.002 | 90 | null | 90 | null | 90 | null | 496.1 | null | null | null | null | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | Barium cobalt yttrium oxide (1/1/2/5) | - Ba Co O5 Y2 - | - Ba Co O5 Y2 - | - Ba4 Co4 O20 Y8 - | 4 | 0.5 | Mevs, H; Mueller-Buschbaum, Hk | Ein Wechsel des Strukturtyps in den Oxiden Ba Co Gd2 O5, Ba Co Dy2 O5 und Ba Co Y2 O5 | Zeitschrift fuer Anorganische und Allgemeine Chemie | 1,989 | 573 | 128 | 132 | 10.1002/zaac.19895730113 | null | 0.069 | null | null | null | null | null | null | null | null | null | null | null | 2,002,136 | null | has coordinates | Mevs, H; Mueller-Buschbaum, Hk
Ein Wechsel des Strukturtyps in den Oxiden Ba Co Gd2 O5, Ba Co Dy2 O5 und Ba Co Y2 O5
Zeitschrift fuer Anorganische und Allgemeine Chemie
573
(1989)
128-132 | 287,519 | 2023-11-10 | 19:29:21 | #------------------------------------------------------------------------------
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4,322,462 | 22.919 | 0.004 | 17.184 | 0.003 | 21.307 | 0.006 | 90 | null | 113.79 | 0.02 | 90 | null | 7,679 | 3 | 243 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Cesium 18-crown-6 (2,4,6-tri-t-butylbenzene)phosphide | - C33.5 H58 Cs O6 P - | - C33.5 H57 Cs O6 P - | - C268 H456 Cs8 O48 P8 - | 8 | 2 | Gerd W. Rabe; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold | Highly Restricted Dimensionality in Cesium Aryl Phosphides | Inorganic Chemistry | 1,999 | 38 | 4342 | 4346 | 10.1021/ic9902119 | 0.71073 | MoKα | 0.091 | 0.0489 | null | 0.1129 | 0.1048 | null | null | null | 1.088 | 1.414 | 1.414 | null | null | null | has coordinates | Gerd W. Rabe; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold
Highly Restricted Dimensionality in Cesium Aryl Phosphides
Inorganic Chemistry
38
(1999)
4342-4346 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,863 | 15.0511 | 0.0069 | 5.5136 | 0.0024 | 7.5134 | 0.0017 | 90 | null | 90 | null | 90 | null | 623.5 | null | null | null | null | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | Barium copper divanadate | - Ba Cu O7 V2 - | - Ba Cu O7 V2 - | - Ba4 Cu4 O28 V8 - | 4 | 0.5 | Vogt, R; Mueller-Buschbaum, Hk | Ba Cu V2 O7: Das letzte Glied in der Reihe M Cu V2 O7 (M= Mg2+, Ca2+, Sr2+, Ba2+) | Journal of the Less-Common Metals | 1,991 | 171 | L35 | L39 | 10.1016/0022-5088(91)90139-U | null | 0.045 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Vogt, R; Mueller-Buschbaum, Hk
Ba Cu V2 O7: Das letzte Glied in der Reihe M Cu V2 O7 (M= Mg2+, Ca2+, Sr2+, Ba2+)
Journal of the Less-Common Metals
171
(1991)
L35-L39 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,864 | 12.434 | 0.006 | 12.434 | 0.006 | 12.434 | 0.006 | 90 | null | 90 | null | 90 | null | 1,922.4 | null | null | null | null | null | null | null | null | null | 5 | I a -3 d | -I 4bd 2c 3 | 230 | Decacalcium pentamagnesium tricopper dodecavanadium oxide | - Ca10 Cu3 Mg5 O48 V12 - | - Ca9.996 Cu3 Mg5.004 O48 V12 - | - Ca19.992 Cu6 Mg10.008 O96 V24 - | 2 | 0.020833 | Vogt, R; Mueller-Buschbaum, Hk | Eine neue Phase mit Granatstruktur: Ca10 Mg5 Cu3 V12 O48 | Journal of the Less-Common Metals | 1,991 | 171 | 345 | 351 | 10.1016/0022-5088(91)90157-Y | null | 0.03 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Vogt, R; Mueller-Buschbaum, Hk
Eine neue Phase mit Granatstruktur: Ca10 Mg5 Cu3 V12 O48
Journal of the Less-Common Metals
171
(1991)
345-351 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,865 | 5.8985 | 0.0006 | 5.8985 | 0.0006 | 24.739 | 0.026 | 90 | null | 90 | null | 120 | null | 745.4 | null | null | null | null | null | null | null | null | null | 5 | P 63 2 2 | P 6c 2c | 182 | Pentabarium ruthenium tantalum nonaoxide dichloride | - Ba5 Cl2 O9 Ru Ta - | - Ba5 Cl2 O9 Ru0.94 Ta1.06 - | - Ba10 Cl4 O18 Ru1.88 Ta2.12 - | 2 | 0.166667 | Wilkens, J; Mueller-Buschbaum, Hk | Ueber Halogenooxo-Ruthenate: Zur Kenntnis von Ba5 Ru Ta O9 Cl2 | Journal of the Less-Common Metals | 1,991 | 171 | 255 | 262 | 10.1016/0022-5088(91)90149-X | null | 0.051 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Wilkens, J; Mueller-Buschbaum, Hk
Ueber Halogenooxo-Ruthenate: Zur Kenntnis von Ba5 Ru Ta O9 Cl2
Journal of the Less-Common Metals
171
(1991)
255-262 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,866 | 7.9599 | 0.0044 | 8.7479 | 0.0053 | 10.4638 | 0.0064 | 90 | null | 94.68 | null | 90 | null | 726.2 | null | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Calcium gallium iron aluminum oxide (1/0.7/0.7/0.6/4) | - Al0.6 Ca Fe0.7 Ga0.7 O4 - | - Al0.6 Ca Fe0.7 Ga0.7 O4 - | - Al4.8 Ca8 Fe5.6 Ga5.6 O32 - | 8 | 2 | Mueller-Buschbaum, Hk; Tams, G | Zur Kristallstruktur von Oxometallaten A M2 O4: Ca Ga(2-x) M(x) O4 mit M= Fe, Al und M= Cr; Ca Ga.7 Fe.7 Al.6 O4 und Ca Ga1.65 Cr.3 | Journal of the Less-Common Metals | 1,991 | 171 | 163 | 169 | 10.1016/0022-5088(91)90273-7 | null | 0.052 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mueller-Buschbaum, Hk; Tams, G
Zur Kristallstruktur von Oxometallaten A M2 O4: Ca Ga(2-x) M(x) O4 mit M= Fe, Al und M= Cr; Ca Ga.7 Fe.7 Al.6 O4 und Ca Ga1.65 Cr.3
Journal of the Less-Common Metals
171
(1991)
163-169 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,867 | 9.0698 | 0.0036 | 2.9634 | 0.0014 | 10.6021 | 0.0031 | 90 | null | 90 | null | 90 | null | 285 | null | null | null | null | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | Calcium gallium chromium oxide (1/1.65/.35/4) | - Ca Cr0.35 Ga1.65 O4 - | - Ca Cr0.35 Ga1.65 O4 - | - Ca4 Cr1.4 Ga6.6 O16 - | 4 | 0.5 | Mueller-Buschbaum, Hk; Tams, G | Zur Kristallstruktur von Oxometallaten A M2 O4: Ca Ga(2-x) M(x) O4 mit M= Fe, Al und M= Cr; Ca Ga.7 Fe.7 Al.6 O4 und Ca Ga1.65 Cr.3 | Journal of the Less-Common Metals | 1,991 | 171 | 163 | 169 | 10.1016/0022-5088(91)90273-7 | null | 0.052 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mueller-Buschbaum, Hk; Tams, G
Zur Kristallstruktur von Oxometallaten A M2 O4: Ca Ga(2-x) M(x) O4 mit M= Fe, Al und M= Cr; Ca Ga.7 Fe.7 Al.6 O4 und Ca Ga1.65 Cr.3
Journal of the Less-Common Metals
171
(1991)
163-169 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,868 | 4.9792 | 0.0006 | 4.9792 | 0.0006 | 23.1601 | 0.0049 | 90 | null | 90 | null | 120 | null | 497.3 | null | null | null | null | null | null | null | null | null | 5 | R -3 :H | -R 3 | 148 | Barium nickel arsenate vanadate (1/2/1.33/.67) | - As1.33 Ba Ni2 O8 V0.67 - | - As1.34 Ba Ni2 O8 V0.66 - | - As4.02 Ba3 Ni6 O24 V1.98 - | 3 | 0.166667 | Mueller-Buschbaum, Hk; Scheske, St | Oxometallate mit partiell salzartigem Anion: Die Kristallchemie von Ba Ni2 (M O4)(2-x) (V O4)x (M= As (x=0.67) und P (x=0.64)) und Sr Ni2 (As O4)(2-x) (V O4)x (x=0.62) | Journal of the Less-Common Metals | 1,991 | 171 | 313 | 320 | 10.1016/0022-5088(91)90153-U | null | 0.042 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mueller-Buschbaum, Hk; Scheske, St
Oxometallate mit partiell salzartigem Anion: Die Kristallchemie von Ba Ni2 (M O4)(2-x) (V O4)x (M= As (x=0.67) und P (x=0.64)) und Sr Ni2 (As O4)(2-x) (V O4)x (x=0.62)
Journal of the Less-Common Metals
171
(1991)
313-320 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,461 | 13.859 | 0.005 | 13.859 | 0.005 | 13.859 | 0.005 | 90 | null | 90 | null | 90 | null | 2,661.9 | 1.7 | 183 | 3 | 183 | 3 | null | null | null | null | 5 | I -4 3 m | I -4 2 3 | 217 | - C9 H28 B N3 Na - | - C9 H22 B N3 Na - | - C72 H176 B8 N24 Na8 - | 8 | 0.166667 | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold | Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate | Inorganic Chemistry | 1,999 | 38 | 4188 | 4196 | 10.1021/ic990205c | 0.71073 | MoKα | 0.0916 | 0.0871 | null | null | 0.2268 | 0.2305 | null | null | null | null | null | 1.169 | null | null | has coordinates | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold
Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate
Inorganic Chemistry
38
(1999)
4188-4196 | 211,332 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,869 | 4.8924 | 0.0006 | 4.8924 | 0.0006 | 22.89499 | 0.0057 | 90 | null | 90 | null | 120 | null | 474.6 | null | null | null | null | null | null | null | null | null | 5 | R -3 :H | -R 3 | 148 | Barium nickel phosphate vanadate (1/2/1.36/.64) | - Ba Ni2 O8 P1.36 V0.64 - | - Ba Ni2 O8 P1.36 V0.64 - | - Ba3 Ni6 O24 P4.08 V1.92 - | 3 | 0.166667 | Mueller-Buschbaum, Hk; Scheske, St | Oxometallate mit partiell salzartigem Anion: Die Kristallchemie von Ba Ni2 (M O4)(2-x) (V O4)x (M= As (x=0.67) und P (x=0.64)) und Sr Ni2 (As O4)(2-x) (V O4)x (x=0.62) | Journal of the Less-Common Metals | 1,991 | 171 | 313 | 320 | 10.1016/0022-5088(91)90153-U | null | 0.048 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mueller-Buschbaum, Hk; Scheske, St
Oxometallate mit partiell salzartigem Anion: Die Kristallchemie von Ba Ni2 (M O4)(2-x) (V O4)x (M= As (x=0.67) und P (x=0.64)) und Sr Ni2 (As O4)(2-x) (V O4)x (x=0.62)
Journal of the Less-Common Metals
171
(1991)
313-320 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,870 | 12.1595 | 0.001 | 12.1595 | 0.001 | 8.2241 | 0.0028 | 90 | null | 90 | null | 90 | null | 1,216 | null | null | null | null | null | null | null | null | null | 5 | I 41 c d | I 4bw -2c | 110 | Strontium nickel arsenate vanadate (1/2/1.38/.62) | - As1.38 Ni2 O8 Sr V0.62 - | - As1.38 Ni2 O8 Sr V0.62 - | - As11.04 Ni16 O64 Sr8 V4.96 - | 8 | 0.5 | Mueller-Buschbaum, Hk; Scheske, St | Oxometallate mit partiell salzartigem Anion: Die Kristallchemie von Ba Ni2 (M O4)(2-x) (V O4)x (M= As (x=0.67) und P (x=0.64)) und Sr Ni2 (As O4)(2-x) (V O4)x (x=0.62) | Journal of the Less-Common Metals | 1,991 | 171 | 313 | 320 | 10.1016/0022-5088(91)90153-U | null | 0.036 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mueller-Buschbaum, Hk; Scheske, St
Oxometallate mit partiell salzartigem Anion: Die Kristallchemie von Ba Ni2 (M O4)(2-x) (V O4)x (M= As (x=0.67) und P (x=0.64)) und Sr Ni2 (As O4)(2-x) (V O4)x (x=0.62)
Journal of the Less-Common Metals
171
(1991)
313-320 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,871 | 5.7713 | 0.0004 | 5.7713 | 0.0004 | 28.70999 | 0.01 | 90 | null | 90 | null | 120 | null | 828.2 | null | null | null | null | null | null | null | null | null | 4 | R -3 m :H | -R 3 2" | 166 | Barium iridium niobium oxide (12/9.6/2.4/36) | - Ba12 Ir9.6 Nb2.4 O36 - | - Ba12 Ir9.6 Nb2.4 O36 - | - Ba12 Ir9.6 Nb2.4 O36 - | 1 | 0.027778 | Wilkens, J; Mueller-Buschbaum, Hk | Ba12 Ir(12-x) Nb(x) O36 (x=2.4) - Eine neue Vervindung mit 12R- Perowskit-Stapelvariante | Journal of Alloys Compd. | 1,991 | 176 | 141 | 146 | 10.1016/0925-8388(91)90019-R | null | 0.091 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Wilkens, J; Mueller-Buschbaum, Hk
Ba12 Ir(12-x) Nb(x) O36 (x=2.4) - Eine neue Vervindung mit 12R- Perowskit-Stapelvariante
Journal of Alloys Compd.
176
(1991)
141-146 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,460 | 9.993 | 0.002 | 10.008 | 0.003 | 14.472 | 0.004 | 90 | null | 93.55 | 0.02 | 90 | null | 1,444.6 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C9 H27 B N3 Na - | - C9 H27 B N3 Na - | - C36 H108 B4 N12 Na4 - | 4 | 1 | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold | Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate | Inorganic Chemistry | 1,999 | 38 | 4188 | 4196 | 10.1021/ic990205c | 0.71073 | MoKα | 0.1048 | 0.0736 | null | 0.1872 | 0.1747 | null | null | null | 1.64 | 1.866 | 1.866 | null | null | null | has coordinates | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold
Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate
Inorganic Chemistry
38
(1999)
4188-4196 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,872 | 8.3261 | 0.0057 | 6.0336 | 0.0028 | 10.6695 | 0.0043 | 90 | null | 97.902 | 0.092 | 90 | null | 530.9 | null | null | null | null | null | null | null | null | null | 5 | P 1 21/m 1 | -P 2yb | 11 | Barium dimagnesium octacopper hexavanadium oxide | - Ba Cu8 Mg2 O26 V6 - | - Ba Cu8 Mg2 O26 V6 - | - Ba Cu8 Mg2 O26 V6 - | 1 | 0.25 | Vogt, R; Mueller-Buschbaum, Hk | Ein neuer Strukturtyp mit trigonal-bipyramidaler Koordination von Kupfer: Ba Mg2 Cu8 V6 O26 | Journal of Alloys Compd. | 1,991 | 176 | 69 | 76 | 10.1016/0925-8388(91)90011-J | null | 0.072 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Vogt, R; Mueller-Buschbaum, Hk
Ein neuer Strukturtyp mit trigonal-bipyramidaler Koordination von Kupfer: Ba Mg2 Cu8 V6 O26
Journal of Alloys Compd.
176
(1991)
69-76 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,873 | 7.164 | 0.005 | 8.872 | 0.014 | 4.806 | 0.004 | 90.29 | 0.09 | 93.66 | 0.04 | 102.05 | 0.09 | 298.1 | null | null | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | Cobalt divanadate - γ | - Co O6 V2 - | - Co O6 V2 - | - Co3 O18 V6 - | 3 | 1.5 | Mueller-Buschbaum, Hk.; Kobel, M. | Zur Kristallchemie von Oxovanadaten: γ-Co V2 O6 und Mn V2 O6 | Journal of Alloys and Compounds | 1,991 | 176 | 1 | 39 | 46 | 10.1016/0925-8388(91)90008-J | null | 0.056 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mueller-Buschbaum, Hk.; Kobel, M.
Zur Kristallchemie von Oxovanadaten: γ-Co V2 O6 und Mn V2 O6
Journal of Alloys and Compounds
176(1)
(1991)
39-46 | 189,447 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,874 | 9.289 | 0.011 | 3.535 | 0.002 | 6.763 | 0.007 | 90 | null | 112.64 | 0.04 | 90 | null | 205 | null | null | null | null | null | null | null | null | null | 3 | C 1 2/m 1 | -C 2y | 12 | Manganese divanadate | - Mn O6 V2 - | - Mn O6 V2 - | - Mn2 O12 V4 - | 2 | 0.25 | Mueller-Buschbaum, Hk.; Kobel, M. | Zur Kristallchemie von Oxovanadaten: γ-Co V2 O6 und Mn V2 O6 | Journal of Alloys and Compounds | 1,991 | 176 | 1 | 39 | 46 | 10.1016/0925-8388(91)90008-J | null | 0.056 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mueller-Buschbaum, Hk.; Kobel, M.
Zur Kristallchemie von Oxovanadaten: γ-Co V2 O6 und Mn V2 O6
Journal of Alloys and Compounds
176(1)
(1991)
39-46 | 189,447 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,875 | 9.3424 | 0.0031 | 7.0669 | 0.0011 | 6.4109 | 0.0014 | 90 | null | 90 | null | 90 | null | 423.3 | null | null | null | null | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | Calcium beryllium dieuropium oxide | - Be Ca Eu2 O5 - | - Be Ca Eu2 O5 - | - Be4 Ca4 Eu8 O20 - | 4 | 0.5 | Mueller-Buschbaum, Hk; Wolters, M | Synthese und Kristallstrukturuntersuchung von Ca Be Eu2 O5, Sr Be Gd2 O5 und Eu Be Sm2 O5 | Journal of Alloys Compd. | 1,994 | 210 | L1 | L3 | 10.1016/0925-8388(94)90104-X | null | 0.069 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mueller-Buschbaum, Hk; Wolters, M
Synthese und Kristallstrukturuntersuchung von Ca Be Eu2 O5, Sr Be Gd2 O5 und Eu Be Sm2 O5
Journal of Alloys Compd.
210
(1994)
L1-L3 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,876 | 9.4342 | 0.0066 | 7.1255 | 0.0009 | 6.4797 | 0.0014 | 90 | null | 90 | null | 90 | null | 435.6 | null | null | null | null | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | Strontium beryllium digadolinium oxide | - Be Gd2 O5 Sr - | - Be Gd2 O5 Sr - | - Be4 Gd8 O20 Sr4 - | 4 | 0.5 | Mueller-Buschbaum, Hk; Wolters, M | Synthese und Kristallstrukturuntersuchung von Ca Be Eu2 O5, Sr Be Gd2 O5 und Eu Be Sm2 O5 | Journal of Alloys Compd. | 1,994 | 210 | L1 | L3 | 10.1016/0925-8388(94)90104-X | null | 0.048 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mueller-Buschbaum, Hk; Wolters, M
Synthese und Kristallstrukturuntersuchung von Ca Be Eu2 O5, Sr Be Gd2 O5 und Eu Be Sm2 O5
Journal of Alloys Compd.
210
(1994)
L1-L3 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,877 | 7.1506 | 0.0032 | 6.4821 | 0.0025 | 9.4394 | 0.0018 | 90 | null | 90.235 | 0.041 | 90 | null | 437.5 | null | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Europium beryllium disamarium oxide | - Be Eu O5 Sm2 - | - Be Eu O5 Sm2 - | - Be4 Eu4 O20 Sm8 - | 4 | 1 | Mueller-Buschbaum, Hk; Wolters, M | Synthese und Kristallstrukturuntersuchung von Ca Be Eu2 O5, Sr Be Gd2 O5 und Eu Be Sm2 O5 | Journal of Alloys Compd. | 1,994 | 210 | L1 | L3 | 10.1016/0925-8388(94)90104-X | null | 0.04 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mueller-Buschbaum, Hk; Wolters, M
Synthese und Kristallstrukturuntersuchung von Ca Be Eu2 O5, Sr Be Gd2 O5 und Eu Be Sm2 O5
Journal of Alloys Compd.
210
(1994)
L1-L3 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,878 | 5.9366 | 0.0031 | 5.9366 | 0.0031 | 15.2423 | 0.0077 | 90 | null | 90 | null | 90 | null | 537.2 | null | null | null | null | null | null | null | null | null | 5 | I 4/m m m | -I 4 2 | 139 | Tetrabarium potassium tetraoxo-acetylenido-aurate(III) | - C4 Au Ba4 K O4 - | - C4 Au Ba4 K O4 - | - C8 Au2 Ba8 K2 O8 - | 2 | 0.0625 | Schrandt, O; Mueller-Buschbaum, Hk | Zur Kenntnis des ersten Barium-Kalium-Oxo-AcetylenidoAurats(III): K Ba4 Au O4 (C2)2 | Journal of Alloys Compd. | 1,994 | 206 | 259 | 262 | 10.1016/0925-8388(94)90046-9 | null | 0.043 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Schrandt, O; Mueller-Buschbaum, Hk
Zur Kenntnis des ersten Barium-Kalium-Oxo-AcetylenidoAurats(III): K Ba4 Au O4 (C2)2
Journal of Alloys Compd.
206
(1994)
259-262 | 205,540 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,459 | 7.591 | 0.003 | 15.325 | 0.006 | 8.719 | 0.004 | 90 | null | 99.8 | 0.02 | 90 | null | 999.5 | 0.7 | 193 | 2 | 193 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H19 B Li N3 - | - C6 H19 B Li N3 - | - C24 H76 B4 Li4 N12 - | 4 | 1 | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold | Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate | Inorganic Chemistry | 1,999 | 38 | 4188 | 4196 | 10.1021/ic990205c | 0.71073 | MoKα | 0.0508 | 0.0416 | null | 0.1014 | 0.0937 | null | null | null | 1.164 | 1.181 | 1.181 | null | null | null | has coordinates | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold
Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate
Inorganic Chemistry
38
(1999)
4188-4196 | 211,332 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,879 | 9.429 | 0.002 | 9.429 | 0.002 | 7.896 | 0.002 | 90 | null | 90 | null | 120 | null | 608 | null | null | null | null | null | null | null | null | null | 4 | P 3 2 1 | P 3 2" | 150 | Sodium dodecastrontium heptaniccolate(III) | - Na Ni7 O23 Sr12 - | - Na Ni7 O22.98 Sr12 - | - Na Ni7 O22.98 Sr12 - | 1 | 0.166667 | Strunk, M; Mueller-Buschbaum, Hk | Ein weiteres AlkaliErdalkali‒Oxoniccolat mit Perowskitstruktur: Sr12 Na Ni7 O23 | Zeitschrift fuer Anorganische und Allgemeine Chemie | 1,994 | 620 | 1565 | 1568 | 10.1002/zaac.19946200912 | null | 0.084 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Strunk, M; Mueller-Buschbaum, Hk
Ein weiteres AlkaliErdalkali‒Oxoniccolat mit Perowskitstruktur: Sr12 Na Ni7 O23
Zeitschrift fuer Anorganische und Allgemeine Chemie
620
(1994)
1565-1568 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,880 | 10.79 | 0.001 | 10.79 | 0.001 | 11.822 | 0.002 | 90 | null | 90 | null | 120 | null | 1,192 | null | null | null | null | null | null | null | null | null | 5 | P 3 1 c | P 3 -2c | 159 | Potassium hexabarium heptagallium tetrazinc oxide | - Ba6 Ga7 K O21 Zn4 - | - Ba6 Ga7.001 K O21 Zn3.999 - | - Ba12 Ga14.002 K2 O42 Zn7.998 - | 2 | 0.333333 | Scheikowski, M; Mueller-Buschbaum, Hk | Zur Kenntnis eines Kalium-Barium-Oxogallat/-zinkats KBa6Ga7Zn4O21 | Zeitschrift fuer Anorganische und Allgemeine Chemie | 1,994 | 620 | 155 | 159 | 10.1002/zaac.19946200125 | null | 0.039 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Scheikowski, M; Mueller-Buschbaum, Hk
Zur Kenntnis eines Kalium-Barium-Oxogallat/-zinkats KBa6Ga7Zn4O21
Zeitschrift fuer Anorganische und Allgemeine Chemie
620
(1994)
155-159 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,881 | 10.529 | 0.001 | 11.372 | 0.001 | 7.019 | 0.003 | 90 | null | 90 | null | 90 | null | 840.4 | null | null | null | null | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | Dilead diindium disilicate | - In2 O9 Pb2 Si2 - | - In2 O9 Pb2 Si2 - | - In8 O36 Pb8 Si8 - | 4 | 1 | Werner, J-P; Mueller-Buschbaum, Hk | Zur Kenntnis eines synthetischen Kentrolits/Melanotekits des Indiums: Pb2 In2 Si2 O9 | Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) | 1,997 | 52 | 1213 | 1218 | null | 0.095 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Werner, J-P; Mueller-Buschbaum, Hk
Zur Kenntnis eines synthetischen Kentrolits/Melanotekits des Indiums: Pb2 In2 Si2 O9
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)
52
(1997)
1213-1218 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,882 | 15.429 | 0.002 | 5.7005 | 0.0012 | 7.364 | 0.002 | 90 | null | 90 | null | 90 | null | 647.7 | null | null | null | null | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | Barium calcium mangenese divanadate (1/0.6/0.4/1) | - Ba Ca0.6 Mn0.4 O7 V2 - | - Ba Ca0.6 Mn0.4 O7 V2 - | - Ba4 Ca2.4 Mn1.6 O28 V8 - | 4 | 0.5 | Rettich, R; Mueller-Buschbaum, Hk | Ein (Ba (Ca, Mn) O6)-Geruest mit eingelagerten V-O-VGruppen in der Kristallstruktur von Ba (Ca0.6 Mn0.4) V2 O7 | Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) | 1,997 | 52 | 785 | 789 | null | 0.086 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Rettich, R; Mueller-Buschbaum, Hk
Ein (Ba (Ca, Mn) O6)-Geruest mit eingelagerten V-O-VGruppen in der Kristallstruktur von Ba (Ca0.6 Mn0.4) V2 O7
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)
52
(1997)
785-789 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,458 | 14.683 | 0.012 | 11.83 | 0.007 | 16.96 | 0.008 | 90 | null | 90 | null | 90 | null | 2,946 | 3 | 223 | null | 223 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | LiBH4*PMDTA | - C9 H27 B Li N3 - | - C9 H27 B Li N3 - | - C72 H216 B8 Li8 N24 - | 8 | 2 | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold | Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate | Inorganic Chemistry | 1,999 | 38 | 4188 | 4196 | 10.1021/ic990205c | 0.71073 | MoKα | 0.1896 | 0.0855 | null | 0.2948 | 0.203 | null | null | null | 1.023 | 1.107 | 1.107 | null | null | null | has coordinates | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold
Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate
Inorganic Chemistry
38
(1999)
4188-4196 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
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2,002,883 | 5.1813 | 0.0007 | 12.467 | 0.003 | 19.34999 | 0.003 | 90 | null | 91.93 | 0.02 | 90 | null | 1,249.2 | null | null | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Barium diytterbium tetramolybdate | - Ba Mo4 O16 Yb2 - | - Ba Mo4 O16 Yb2 - | - Ba4 Mo16 O64 Yb8 - | 4 | 0.5 | Gallinat, St; Mueller-Buschbaum, Hk | Zwei Beispiele fuer partielle und totale Defekte im Ba () Ln2 Mo4 O16- Typ: Ba Cu0.41 ()0.59 Pr2 Mo4 O16 und Ba () Yb2 Mo4 O16 | Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) | 1,996 | 51 | 85 | 89 | null | 0.038 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gallinat, St; Mueller-Buschbaum, Hk
Zwei Beispiele fuer partielle und totale Defekte im Ba () Ln2 Mo4 O16- Typ: Ba Cu0.41 ()0.59 Pr2 Mo4 O16 und Ba () Yb2 Mo4 O16
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)
51
(1996)
85-89 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,884 | 4.039 | 0.001 | 4.039 | 0.001 | 4.039 | 0.001 | 90 | null | 90 | null | 90 | null | 65.9 | null | null | null | null | null | null | null | null | null | 3 | P m -3 m | -P 4 2 3 | 221 | Barium niobate(1/0.92) | - Ba Nb0.92 O2.76 - | - Ba Nb0.92 O2.76 - | - Ba Nb0.92 O2.76 - | 1 | 0.020833 | Grin, Y; Mueller-Buschbaum, Hk; Schnering, H G von | "Ba Nb3 O6" ist ein Perowskit Ba Nb O3, eine Korrektur und ein Beitrag zu Ba(x) Nb O3 und Ba () Yb2 Mo4 O16 | Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) | 1,996 | 51 | 85 | 89 | null | 0.022 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Grin, Y; Mueller-Buschbaum, Hk; Schnering, H G von
"Ba Nb3 O6" ist ein Perowskit Ba Nb O3, eine Korrektur und ein Beitrag zu Ba(x) Nb O3 und Ba () Yb2 Mo4 O16
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)
51
(1996)
85-89 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,885 | 3.89 | null | 3.89 | null | 11.8 | 0.01 | 90 | null | 90 | null | 90 | null | 178.6 | null | null | null | null | null | null | null | null | null | 3 | I 4/m m m | -I 4 2 | 139 | Digadolinium cuprate | - Cu Gd2 O4 - | - Cu Gd2 O4 - | - Cu2 Gd4 O8 - | 2 | 0.0625 | Grande, B; Mueller-Buschbaum, H; Schweizer, M | Zur Kristallstruktur von Seltenerdmetalloxocupraten: La2 Cu O4 , Gd2 Cu O4 | Zeitschrift fuer Anorganische und Allgemeine Chemie | 1,977 | 428 | 120 | 124 | 10.1002/zaac.19774280116 | null | 0.07 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Grande, B; Mueller-Buschbaum, H; Schweizer, M
Zur Kristallstruktur von Seltenerdmetalloxocupraten: La2 Cu O4 , Gd2 Cu O4
Zeitschrift fuer Anorganische und Allgemeine Chemie
428
(1977)
120-124 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,886 | 5.526 | null | 5.526 | null | 14.192 | null | 90 | null | 90 | null | 90 | null | 433.4 | null | null | null | null | null | null | null | null | null | 5 | I 4/m m m | -I 4 2 | 139 | Dibarium tetraoxochlorobromotricuprate | - Ba2 Br Cl Cu3 O4 - | - Ba2 Br Cl Cu3 O4 - | - Ba4 Br2 Cl2 Cu6 O8 - | 2 | 0.0625 | Kipka, R; Mueller-Buschbaum, H | Zur Kenntnis von Ba2 Cu3 O4 Br2, mit einem Beitrag zum Mischkristall Ba2 Cu3 O4 Cl Br | Zeitschrift fuer Anorganische und Allgemeine Chemie | 1,976 | 424 | 1 | 4 | 10.1002/zaac.19764240102 | null | 0.085 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kipka, R; Mueller-Buschbaum, H
Zur Kenntnis von Ba2 Cu3 O4 Br2, mit einem Beitrag zum Mischkristall Ba2 Cu3 O4 Cl Br
Zeitschrift fuer Anorganische und Allgemeine Chemie
424
(1976)
1-4 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,887 | 11.275 | 0.001 | 8.6185 | 0.0009 | 12.31 | 0.0011 | 90 | null | 105.469 | 0.009 | 90 | null | 1,152.9 | null | null | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | Di-$-mue-bromidotelluro-$-mue-ditellurido- bis(dibromotelluridodibromorhenium) | - Br10 Re2 Te6 - | - Br10 Re2 Te6 - | - Br20 Re4 Te12 - | 2 | 1 | Beck, J; Mueller-Buschbaum, K | Synthesis and crystal structure of (Re2 Br4 (Te2) (Te Br)2 (Te Br2)2), a dinuclear complex with (Te2)2-, TeBr-, and Te Br2 ligands | European Journal of Inorganic Chemistry | 1,999 | 1,999 | 839 | 842 | 10.1002/(SICI)1099-0682(199905)1999:5<839::AID-EJIC839>3.0.CO;2-E | null | 0.0648 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Beck, J; Mueller-Buschbaum, K
Synthesis and crystal structure of (Re2 Br4 (Te2) (Te Br)2 (Te Br2)2), a dinuclear complex with (Te2)2-, TeBr-, and Te Br2 ligands
European Journal of Inorganic Chemistry
1999
(1999)
839-842 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 130149 $
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4,322,457 | 28.527 | 0.003 | 10.8575 | 0.001 | 11.3185 | 0.001 | 90 | null | 90 | null | 90 | null | 3,505.7 | 0.6 | 193 | null | 193 | null | null | null | null | null | 5 | F d d 2 | F 2 -2d | 43 | Lithium tetrahydrdioborate-2-Collidine | - C16 H26 B Li N2 - | - C16 H26 B Li N2 - | - C128 H208 B8 Li8 N16 - | 8 | 0.5 | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold | Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate | Inorganic Chemistry | 1,999 | 38 | 4188 | 4196 | 10.1021/ic990205c | 0.71073 | MoKα | 0.0676 | 0.0502 | null | null | 0.1102 | 0.1211 | null | null | null | null | null | 1.165 | null | null | has coordinates | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold
Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate
Inorganic Chemistry
38
(1999)
4188-4196 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
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2,002,888 | 8.7 | null | 8.092 | null | 15.191 | null | 90 | null | 90.17 | null | 90 | null | 1,069.4 | null | null | null | null | null | null | null | null | null | Synthetic | 3 | P 1 21/n 1 | -P 2yn | 14 | Calcium dialuminium oxide | Krotite | - Al2 Ca O4 - | - Al2 Ca O4 - | - Al24 Ca12 O48 - | 12 | 3 | Hoerkner, W; Mueller-Buschbaum, H | Zur Kristallstruktur von Ca Al2 O4 | Journal of Inorganic and Nuclear Chemistry | 1,976 | 38 | 983 | 984 | 10.1016/0022-1902(76)80011-5 | null | 0.055 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Hoerkner, W; Mueller-Buschbaum, H
Zur Kristallstruktur von Ca Al2 O4
Journal of Inorganic and Nuclear Chemistry
38
(1976)
983-984 | 282,068 | 2023-03-26 | 10:12:03 | #------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
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2,002,889 | 5.964 | null | 8.32 | null | 5.86 | null | 90 | null | 90 | null | 90 | null | 290.8 | null | null | null | null | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | Strontium plumbate | - O3 Pb Sr - | - O3 Pb Sr - | - O12 Pb4 Sr4 - | 4 | 0.5 | Keller, H L; Meier, K H; Mueller-Buschbaum, H | Zur Kristallstruktur von Sr Pb O3 | Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) | 1,975 | 30 | 277 | 278 | null | 0.061 | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Keller, H L; Meier, K H; Mueller-Buschbaum, H
Zur Kristallstruktur von Sr Pb O3
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)
30
(1975)
277-278 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,890 | 11.211 | 0.005 | 12.862 | 0.003 | 23.05 | 0.01 | 90 | null | 94.37 | 0.03 | 90 | null | 3,314 | 2 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C24 H66 Mo12 N4 O50 P2 - | - C24 Mo12 N4 O50 P2 - | - C48 Mo24 N8 O100 P4 - | 2 | 0.5 | AB0384 | Lyxell,D-G.; Bostrom,D.; Hashimoto,M.; Pettersson,L. | Multicomponent Polyanions. 53. Structure of Tetrakis(trimethylammonium) Tetra-μ-oxo-bis(triaquahexadecaoxo(trioxophenylphosphato)hexamolybdate) Dihydrate, [NH(CH~3~)~3~]~4~[{(C~6~H~5~P)Mo~6~O~21~(H~2~O)~3~}~2~].2H~2~O | Acta Crystallographica Section B | 1,998 | 54 | 4 | 424 | 430 | 10.1107/S010876819701776X | 0.71073 | MoKα | 0.049 | 0.037 | null | 0.07 | 0.059 | null | null | null | 1.189 | 1.12 | 1.12 | null | null | null | has coordinates | Lyxell,D-G.; Bostrom,D.; Hashimoto,M.; Pettersson,L.
Multicomponent Polyanions. 53. Structure of Tetrakis(trimethylammonium) Tetra-μ-oxo-bis(triaquahexadecaoxo(trioxophenylphosphato)hexamolybdate) Dihydrate, [NH(CH~3~)~3~]~4~[{(C~6~H~5~P)Mo~6~O~21~(H~2~O)~3~}~2~].2H~2~O
Acta Crystallographica Section B
54(4)
(1998)
424... | 209,447 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,891 | 6.1676 | 0.0001 | 6.1661 | 0.0001 | 20.8093 | 0.0003 | 90 | null | 91 | 0.01 | 90 | null | 791.26 | 0.02 | 295 | null | 295 | null | null | null | null | null | 3 | A 1 2/a 1 | -A 2ya | 15 | - Al4.5 Fe Si - | - Al5.5 Fe - | - Al44 Fe8 - | 8 | 1 | AB0388 | Hansen, Vidar; Hauback, Bjørn; Sundberg, M.; Rømming, Chr.; Gjønnes, Jon | β-Al~4.5~FeSi: A Combined Synchrotron Powder Diffraction, Electron Diffraction, High-Resolution Electron Microscopy and Single-Crystal X-ray Diffraction Study of a Faulted Structure | Acta Crystallographica Section B | 1,998 | 54 | 4 | 351 | 357 | 10.1107/S0108768197017047 | 1.0983 | synchrotronX-ray | null | null | null | null | null | null | null | null | 4.452 | null | null | null | null | null | has coordinates | Hansen, Vidar; Hauback, Bjørn; Sundberg, M.; Rømming, Chr.; Gjønnes, Jon
β-Al~4.5~FeSi: A Combined Synchrotron Powder Diffraction, Electron Diffraction, High-Resolution Electron Microscopy and Single-Crystal X-ray Diffraction Study of a Faulted Structure
Acta Crystallographica Section B
54(4)
(1998)
351-357 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,892 | 5.2997 | 0.0006 | 5.2997 | 0.0006 | 7.0758 | 0.0009 | 90 | null | 90 | null | 90 | null | 198.74 | 0.04 | 293 | null | 293 | null | null | null | null | null | 4 | P 41 21 2 | P 4abw 2nw | 92 | - Al1.95 Na1.95 O4 Si0.05 - | - Al1.95 Na1.95 O4 Si0.05 - | - Al3.9 Na3.9 O8 Si0.1 - | 2 | 0.25 | AB0390 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. | Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures | Acta Crystallographica Section B | 1,998 | 54 | 5 | 531 | 546 | 10.1107/S0108768197019927 | 1.5418 | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.
Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures
Acta Crystallographica Section B
54(5)
(1998)
531-546 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,456 | 10.1206 | 0.0014 | 12.417 | 0.002 | 13.462 | 0.003 | 83.189 | 0.002 | 86.068 | 0.003 | 69.166 | 0.004 | 1,569.3 | 0.5 | 193 | null | 193 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | Tris(p-benzylpyridine) Lithium Tetrahydridoborate | - C36 H37 B Li N3 - | - C36 H37 B Li N3 - | - C72 H74 B2 Li2 N6 - | 2 | 1 | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold | Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate | Inorganic Chemistry | 1,999 | 38 | 4188 | 4196 | 10.1021/ic990205c | 0.71073 | MoKα | 0.3024 | 0.0689 | null | null | 0.1285 | 0.1836 | null | null | null | null | null | 0.834 | null | null | has coordinates | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold
Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate
Inorganic Chemistry
38
(1999)
4188-4196 | 211,332 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,893 | 10.416 | 0.003 | 14.25 | 0.003 | 5.2038 | 0.0009 | 90 | null | 90 | null | 90 | null | 772.4 | 0.3 | 293 | null | 293 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - Al1.75 Na1.75 O4 Si0.25 - | - Al0.07 Na0.372 O0.184 Si0.07 - | - Al0.56 Na2.976 O1.472 Si0.56 - | 8 | 1 | AB0390 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. | Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures | Acta Crystallographica Section B | 1,998 | 54 | 5 | 531 | 546 | 10.1107/S0108768197019927 | 1.5418 | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.
Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures
Acta Crystallographica Section B
54(5)
(1998)
531-546 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,894 | 10.3872 | 0.0007 | 10.3872 | 0.0007 | 7.1589 | 0.0008 | 90 | null | 90 | null | 90 | null | 772.4 | 0.11 | 293 | null | 293 | null | null | null | null | null | 4 | P 41 21 2 | P 4abw 2nw | 92 | - Al1.65 Na1.65 O4 Si0.35 - | - Al1.65 Na1.616 O4 Si0.35 - | - Al13.2 Na12.928 O32 Si2.8 - | 8 | 1 | AB0390 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. | Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures | Acta Crystallographica Section B | 1,998 | 54 | 5 | 531 | 546 | 10.1107/S0108768197019927 | 1.5418 | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.
Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures
Acta Crystallographica Section B
54(5)
(1998)
531-546 | 192,015 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,895 | 10.385 | 0.001 | 14.198 | 0.003 | 5.1925 | 0.0006 | 90 | null | 90 | null | 90 | null | 765.6 | 0.2 | 293 | null | 293 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - Al1.55 Na1.55 O4 Si0.45 - | - Al0.116 Na0.456 O0.26 Si0.116 - | - Al0.928 Na3.648 O2.08 Si0.928 - | 8 | 1 | AB0390 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. | Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures | Acta Crystallographica Section B | 1,998 | 54 | 5 | 531 | 546 | 10.1107/S0108768197019927 | 1.5418 | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.
Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures
Acta Crystallographica Section B
54(5)
(1998)
531-546 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,896 | 10.214 | 0.002 | 14.226 | 0.007 | 10.308 | 0.001 | 90 | null | 90 | null | 90 | null | 1,497.8 | 0.8 | 293 | null | 293 | null | null | null | null | null | 4 | P b 21 a | P -2a -2ab | 29 | - Al1.15 Na1.15 O4 Si0.85 - | - Al0.066 Na0.154 O0.112 Si0.066 - | - Al1.056 Na2.464 O1.792 Si1.056 - | 16 | 4 | AB0390 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. | Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures | Acta Crystallographica Section B | 1,998 | 54 | 5 | 531 | 546 | 10.1107/S0108768197019927 | 1.5418 | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.
Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures
Acta Crystallographica Section B
54(5)
(1998)
531-546 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,455 | 10.9939 | 0.0005 | 9.9171 | 0.0004 | 14.826 | 0.0008 | 90 | null | 94.721 | 0.003 | 90 | null | 1,610.96 | 0.13 | 193 | null | 193 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Lithium Tetrahydridoborate 3 Pyridine | - C15 H19 B Li N3 - | - C15 H19 B Li N3 - | - C60 H76 B4 Li4 N12 - | 4 | 1 | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold | Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate | Inorganic Chemistry | 1,999 | 38 | 4188 | 4196 | 10.1021/ic990205c | 0.71073 | MoKα | 0.0955 | 0.0519 | null | null | 0.1066 | 0.1266 | null | null | null | null | null | 1.103 | null | null | has coordinates | Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold
Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate
Inorganic Chemistry
38
(1999)
4188-4196 | 211,332 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,897 | 14.553 | 0.001 | 14.553 | 0.001 | 14.553 | 0.001 | 90 | null | 90 | null | 90 | null | 3,082 | 0.6 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 3 | P 2ac 2ab 3 | 198 | - Al1.45 Na1.45 O4 Si0.55 - | - Al1.45 Na1.45025 O4 Si0.55 - | - Al46.4 Na46.408 O128 Si17.6 - | 32 | 2.66667 | Withers, Ray L.; Thompson, John G.; Melnitchenko, Alexandra; Palethorpe, Stephen R. | Cristobalite-related phases in the NaAlO2-NaAlSiO4 system II. A commensurately modulated cubic structure | Acta Crystallographica, Section B | 1,998 | 54 | 547 | 557 | 1.5418 | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Withers, Ray L.; Thompson, John G.; Melnitchenko, Alexandra; Palethorpe, Stephen R.
Cristobalite-related phases in the NaAlO2-NaAlSiO4 system II. A commensurately modulated cubic structure
Acta Crystallographica, Section B
54
(1998)
547-557 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,898 | 14.553 | 0.001 | 14.553 | 0.001 | 14.553 | 0.001 | 90 | null | 90 | null | 90 | null | 3,082 | 0.6 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 3 | P 2ac 2ab 3 | 198 | - Al1.45 Na1.45 O4 Si0.55 - | - Al1.45 Na1.45025 O4 Si0.55 - | - Al46.4 Na46.408 O128 Si17.6 - | 32 | 2.66667 | Withers, Ray L.; Thompson, John G.; Melnitchenko, Alexandra; Palethorpe, Stephen R. | Cristobalite-related phases in the NaAlO2-NaAlSiO4 system II. A commensurately modulated cubic structure | Acta Crystallographica, Section B | 1,998 | 54 | 547 | 557 | 1.5418 | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | 2,002,897 | null | has coordinates | Withers, Ray L.; Thompson, John G.; Melnitchenko, Alexandra; Palethorpe, Stephen R.
Cristobalite-related phases in the NaAlO2-NaAlSiO4 system II. A commensurately modulated cubic structure
Acta Crystallographica, Section B
54
(1998)
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4,322,454 | 9.6795 | 0.0014 | 9.6795 | 0.0014 | 13.951 | 0.003 | 90 | null | 90 | null | 120 | null | 1,132 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 63/m | -P 6c | 176 | - C12 F18 Mo S6 - | - C8 F12 Mo0.666667 S4 - | - C24 F36 Mo2 S12 - | 3 | 0.25 | Kun Wang; Jonathan M. McConnachie; Edward I. Stiefel | Syntheses of Metal Dithiolene Complexes from Thiometalates by Induced Internal Redox Reactions | Inorganic Chemistry | 1,999 | 38 | 4334 | 4341 | 10.1021/ic990204k | 0.71073 | MoKα | 0.1062 | 0.1036 | null | 0.2854 | 0.2836 | null | null | null | 1.144 | 1.177 | 1.177 | null | null | null | has coordinates,has disorder | Kun Wang; Jonathan M. McConnachie; Edward I. Stiefel
Syntheses of Metal Dithiolene Complexes from Thiometalates by Induced Internal Redox Reactions
Inorganic Chemistry
38
(1999)
4334-4341 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,899 | 7.392 | 0.004 | 8.895 | 0.004 | 15.115 | 0.008 | 89.12 | 0.02 | 87.46 | 0.02 | 84.54 | 0.02 | 988.3 | 0.9 | 295 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C4 H6 N4 Na2 Ni O3 - | - C4 H6 N4 Na2 Ni O3 - | - C16 H24 N16 Na8 Ni4 O12 - | 4 | 2 | AB0396 | Ptasiewicz-Bąk, H.; Olovsson, I.; McIntyre, G.J. | Structure, Charge and Spin Density in Na~2~Ni(CN)~4~.3H~2~O at 295 and 30 K | Acta Crystallographica Section B | 1,998 | 54 | 5 | 600 | 612 | 10.1107/S0108768198002286 | 0.71069 | MoKα | null | 0.0201 | null | null | 0.03 | null | null | null | null | 1.283 | 1.283 | null | null | null | has coordinates | Ptasiewicz-Bąk, H.; Olovsson, I.; McIntyre, G.J.
Structure, Charge and Spin Density in Na~2~Ni(CN)~4~.3H~2~O at 295 and 30 K
Acta Crystallographica Section B
54(5)
(1998)
600-612 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,002,900 | 7.32 | 0.002 | 8.902 | 0.002 | 15.204 | 0.004 | 89.333 | 0.006 | 87.336 | 0.007 | 83.621 | 0.006 | 983.5 | 0.4 | 30 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C4 H6 N4 Na2 Ni O3 - | - C4 H6 N4 Na2 Ni O3 - | - C16 H24 N16 Na8 Ni4 O12 - | 4 | 2 | AB0396 | Ptasiewicz-Bąk, H.; Olovsson, I.; McIntyre, G.J. | Structure, Charge and Spin Density in Na~2~Ni(CN)~4~.3H~2~O at 295 and 30 K | Acta Crystallographica Section B | 1,998 | 54 | 5 | 600 | 612 | 10.1107/S0108768198002286 | neutron | 0.8417 | neutron | null | 0.0493 | null | null | 0.0685 | null | null | null | null | 2.191 | 2.191 | null | null | null | has coordinates | Ptasiewicz-Bąk, H.; Olovsson, I.; McIntyre, G.J.
Structure, Charge and Spin Density in Na~2~Ni(CN)~4~.3H~2~O at 295 and 30 K
Acta Crystallographica Section B
54(5)
(1998)
600-612 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,002,901 | 4.515 | 0.001 | 9.503 | 0.003 | 11.618 | 0.002 | 90 | null | 90.33 | 0.01 | 90 | null | 498.5 | 0.2 | 295 | null | 295 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | Lead diselenite | Lead diselenate(IV) | - O5 Pb Se2 - | - O5 Pb Se2 - | - O20 Pb4 Se8 - | 4 | 1 | AB1172 | Jussi Valkonen | Lead Diselenite | Acta Crystallographica Section C | 1,995 | 51 | 1 | 1 | 3 | 10.1107/S0108270194005093 | 0.71073 | MoKα | null | 0.034 | null | null | 0.043 | null | null | null | null | 0.53 | 0.53 | null | null | null | has coordinates | Jussi Valkonen
Lead Diselenite
Acta Crystallographica Section C
51(1)
(1995)
1-3 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,002,902 | 18.0105 | 0.0012 | 4.2413 | 0.0003 | 30.66 | 0.002 | 90 | null | 93.297 | 0.005 | 90 | null | 2,338.2 | 0.3 | 150 | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C21 H42 S3 - | - C21 H42 S3 - | - C84 H168 S12 - | 4 | 2 | Veldman, Nora; Spek, Anthony L.; Edema, Jilles J. H.; Kellogg, Richard M. | 2,4,6-Trihexyl-1,3,5-trithiane | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 1 | 88 | 91 | 10.1107/s0108270194008115 | 0.71073 | MoKα | null | 0.0694 | null | 0.1768 | 0.1286 | null | null | null | 0.921 | 1.143 | 1.143 | null | null | null | has coordinates | Veldman, Nora; Spek, Anthony L.; Edema, Jilles J. H.; Kellogg, Richard M.
2,4,6-Trihexyl-1,3,5-trithiane
Acta Crystallographica, Section C: Crystal Structure Communications
51(1)
(1995)
88-91 | 200,786 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-09-12 15:05:52 +0300 (Tue, 12 Sep 2017) $
#$Revision: 200786 $
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2,002,903 | 13.044 | 0.003 | 6.847 | 0.002 | 9.465 | 0.004 | 90 | null | 98.46 | 0.03 | 90 | null | 836.1 | 0.5 | 294 | 2 | null | null | null | null | null | null | 4 | P 1 2/c 1 | -P 2yc | 13 | - C7 H13 N O2 - | - C7 H13 N O2 - | - C28 H52 N4 O8 - | 4 | 1 | Larsen, Ingrid Kjoller; Trickey, Peter | Cyclohexanecarbohydroxamic Acid | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 1 | 125 | 127 | 10.1107/S0108270194008413 | 0.71073 | MoKα | null | 0.0546 | null | 0.2005 | 0.1446 | null | null | null | 0.94 | 0.97 | 0.97 | null | null | null | has coordinates | Larsen, Ingrid Kjoller; Trickey, Peter
Cyclohexanecarbohydroxamic Acid
Acta Crystallographica, Section C: Crystal Structure Communications
51(1)
(1995)
125-127 | 200,786 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-09-12 15:05:52 +0300 (Tue, 12 Sep 2017) $
#$Revision: 200786 $
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2,002,904 | 8.677 | 0.002 | 9.438 | 0.002 | 13.504 | 0.003 | 90 | null | 96.45 | 0.03 | 90 | null | 1,098.9 | 0.4 | 130 | 2 | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C10 H10 Br Cl O2 - | - C10 H10 Br Cl O2 - | - C40 H40 Br4 Cl4 O8 - | 4 | 2 | Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G. | Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 1 | 134 | 135 | 10.1107/S0108270194008218 | 0.71073 | MoKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G.
Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate
Acta Crystallographica, Section C: Crystal Structure Communications
51(1)
(1995)
134-135 | 301,791 | 2025-08-18 | 23:15:21 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,002,905 | 15.783 | 0.002 | 5.458 | 0.001 | 9.586 | 0.001 | 90 | null | 104.97 | 0.01 | 90 | null | 797.7 | 0.2 | 173 | 1 | null | null | null | null | null | null | 3 | C 1 2 1 | C 2y | 5 | - C7 H12 O4 - | - C7 H12 O4 - | - C28 H48 O16 - | 4 | 1 | Kopf, Jürgen; Schulz, Stefan | (1'R,2S,3R)-2-Hydroxy-2-(1-hydroxyethyl)-3-methyl-γ-butyrolactone | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 1 | 84 | 86 | 10.1107/s010827019400819x | 1.54178 | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kopf, Jürgen; Schulz, Stefan
(1'R,2S,3R)-2-Hydroxy-2-(1-hydroxyethyl)-3-methyl-γ-butyrolactone
Acta Crystallographica, Section C: Crystal Structure Communications
51(1)
(1995)
84-86 | 200,786 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-09-12 15:05:52 +0300 (Tue, 12 Sep 2017) $
#$Revision: 200786 $
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2,002,906 | 8.36 | 0.002 | 6.33 | 0.001 | 14.75 | 0.003 | 90 | null | 92.86 | 0.03 | 90 | null | 779.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | Lys.3HIO3 | α,ε–diaminocapronic acid.3HIO~3~ | - C6 H17 I3 N2 O11 - | - C6 H17 I3 N2 O11 - | - C12 H34 I6 N4 O22 - | 2 | 1 | AN0540 | A. M. Petrosyan; R. P. Sukiasyan; S. S. Terzyan; V. M. Burbelo | Interaction of lysine with iodic acid | Acta Crystallographica Section B | 1,999 | 55 | 2 | 221 | 225 | 10.1107/S0108768198011975 | 0.71073 | MoKα | 0.0339 | 0.0338 | null | 0.0921 | 0.0918 | null | null | null | 1.071 | 1.071 | 1.071 | null | null | null | has coordinates | A. M. Petrosyan; R. P. Sukiasyan; S. S. Terzyan; V. M. Burbelo
Interaction of lysine with iodic acid
Acta Crystallographica Section B
55(2)
(1999)
221-225 | 301,791 | 2025-08-18 | 23:15:21 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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4,322,453 | 12.2 | 0.002 | 18.63 | 0.004 | 15.463 | 0.003 | 90 | null | 91.02 | 0.03 | 90 | null | 3,514 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C24 H40 F12 N2 O S4 W - | - C24 H40 F12 N2 O S4 W - | - C96 H160 F48 N8 O4 S16 W4 - | 4 | 1 | Kun Wang; Jonathan M. McConnachie; Edward I. Stiefel | Syntheses of Metal Dithiolene Complexes from Thiometalates by Induced Internal Redox Reactions | Inorganic Chemistry | 1,999 | 38 | 4334 | 4341 | 10.1021/ic990204k | 0.71073 | MoKα | 0.0757 | 0.0456 | null | 0.1067 | 0.093 | null | null | null | 1.09 | 1.127 | 1.127 | null | null | null | has coordinates,has disorder | Kun Wang; Jonathan M. McConnachie; Edward I. Stiefel
Syntheses of Metal Dithiolene Complexes from Thiometalates by Induced Internal Redox Reactions
Inorganic Chemistry
38
(1999)
4334-4341 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $
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2,002,907 | 13.2691 | 0.0006 | 6.6848 | 0.0004 | 10.7629 | 0.0006 | 90 | null | 90 | null | 90 | null | 954.68 | 0.09 | 293 | null | 293 | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Cs(0.05)Rb(0.95)TiOAsO4 | - As2 Cs0.14 O10 Rb1.86 Ti2 - | - As2 Cs0.136 O10 Rb1.864 Ti2 - | - As8 Cs0.544 O40 Rb7.456 Ti8 - | 4 | 1 | AN0545 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. | Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry | Acta Crystallographica Section B | 1,998 | 54 | 5 | 635 | 644 | 10.1107/S0108768198002985 | 0.71073 | MoKα | null | 0.0206 | null | null | 0.0213 | null | null | null | null | 1.0901 | 1.0901 | null | null | null | has coordinates | Womersley, M. N.; Thomas, P. A.; Corker, D. L.
Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry
Acta Crystallographica Section B
54(5)
(1998)
635-644 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,002,908 | 13.33 | 0.002 | 6.7181 | 0.0009 | 10.762 | 0.001 | 90 | null | 90 | null | 90 | null | 963.8 | 0.2 | 293 | null | 293 | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Cs(0.31)Rb(0.69)TiOAsO4 | - As2 Cs0.62 O10 Rb1.38 Ti2 - | - As2 Cs0.62 O10 Rb1.38 Ti2 - | - As8 Cs2.48 O40 Rb5.52 Ti8 - | 4 | 1 | AN0545 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. | Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry | Acta Crystallographica Section B | 1,998 | 54 | 5 | 635 | 644 | 10.1107/S0108768198002985 | 0.71073 | MoKα | null | 0.0375 | null | null | 0.0425 | null | null | null | null | 1.0882 | 1.0882 | null | null | null | has coordinates | Womersley, M. N.; Thomas, P. A.; Corker, D. L.
Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry
Acta Crystallographica Section B
54(5)
(1998)
635-644 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,002,909 | 13.392 | 0.004 | 6.769 | 0.002 | 10.7524 | 0.0008 | 90 | null | 90 | null | 90 | null | 974.7 | 0.4 | 293 | null | 293 | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Cs(0.58)Rb(0.42)TiOAsO4 | - As2 Cs1.15 O10 Rb0.85 Ti2 - | - As2 Cs1.145 O10 Rb0.855 Ti2 - | - As8 Cs4.58 O40 Rb3.42 Ti8 - | 4 | 1 | AN0545 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. | Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry | Acta Crystallographica Section B | 1,998 | 54 | 5 | 635 | 644 | 10.1107/S0108768198002985 | 0.71073 | MoKα | null | 0.0224 | null | null | 0.0231 | null | null | null | null | 1.118 | 1.118 | null | null | null | has coordinates | Womersley, M. N.; Thomas, P. A.; Corker, D. L.
Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry
Acta Crystallographica Section B
54(5)
(1998)
635-644 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,002,910 | 13.426 | 0.001 | 6.8054 | 0.0006 | 10.7205 | 0.0009 | 90 | null | 90 | null | 90 | null | 979.52 | 0.14 | 293 | null | 293 | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Cs(0.71)Rb(0.29)TiOAsO4 | - As2 Cs1.43 O10 Rb0.57 Ti2 - | - As2 Cs1.429 O10 Rb0.571 Ti2 - | - As8 Cs5.716 O40 Rb2.284 Ti8 - | 4 | 1 | AN0545 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. | Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry | Acta Crystallographica Section B | 1,998 | 54 | 5 | 635 | 644 | 10.1107/S0108768198002985 | 0.71073 | MoKα | null | 0.0287 | null | null | 0.0349 | null | null | null | null | 1.873 | 1.873 | null | null | null | has coordinates | Womersley, M. N.; Thomas, P. A.; Corker, D. L.
Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry
Acta Crystallographica Section B
54(5)
(1998)
635-644 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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4,322,452 | 18.933 | 0.004 | 13.728 | 0.003 | 17.096 | 0.003 | 90 | null | 110.26 | 0.03 | 90 | null | 4,168.5 | 1.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C28 H40 F18 N2 S6 W - | - C28 H40 F18 N2 S6 W - | - C112 H160 F72 N8 S24 W4 - | 4 | 0.5 | Kun Wang; Jonathan M. McConnachie; Edward I. Stiefel | Syntheses of Metal Dithiolene Complexes from Thiometalates by Induced Internal Redox Reactions | Inorganic Chemistry | 1,999 | 38 | 4334 | 4341 | 10.1021/ic990204k | 0.71073 | MoKα | 0.0424 | 0.0312 | null | 0.0743 | 0.0691 | null | null | null | 1.037 | 1.047 | 1.047 | null | null | null | has coordinates,has disorder | Kun Wang; Jonathan M. McConnachie; Edward I. Stiefel
Syntheses of Metal Dithiolene Complexes from Thiometalates by Induced Internal Redox Reactions
Inorganic Chemistry
38
(1999)
4334-4341 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $
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2,002,911 | 13.467 | 0.004 | 6.836 | 0.001 | 10.704 | 0.002 | 90 | null | 90 | null | 90 | null | 985.4 | 0.4 | 293 | null | 293 | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Cs(0.86)Rb(0.14)TiOAsO4 | - As2 Cs1.73 O10 Rb0.27 Ti2 - | - As2 Cs1.732 O10 Rb0.268 Ti2 - | - As8 Cs6.928 O40 Rb1.072 Ti8 - | 4 | 1 | AN0545 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. | Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry | Acta Crystallographica Section B | 1,998 | 54 | 5 | 635 | 644 | 10.1107/S0108768198002985 | 0.71073 | MoKα | null | 0.0279 | null | null | 0.0323 | null | null | null | null | 1.4451 | 1.4451 | null | null | null | has coordinates | Womersley, M. N.; Thomas, P. A.; Corker, D. L.
Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry
Acta Crystallographica Section B
54(5)
(1998)
635-644 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,002,912 | 13.43 | 0.001 | 6.8 | 0.001 | 10.762 | 0.002 | 90 | null | 90 | null | 90 | null | 982.8 | 0.2 | 153 | null | 153 | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Cs(0.71)Rb(0.29)TiOAsO4 | - As2 Cs1.4 O10 Rb0.6 Ti2 - | - As2 Cs1.396 O10 Rb0.604 Ti2 - | - As8 Cs5.584 O40 Rb2.416 Ti8 - | 4 | 1 | AN0545 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. | Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry | Acta Crystallographica Section B | 1,998 | 54 | 5 | 635 | 644 | 10.1107/S0108768198002985 | 0.71073 | MoKα | null | 0.0231 | null | null | 0.0321 | null | null | null | null | 1.7816 | 1.7816 | null | null | null | has coordinates | Womersley, M. N.; Thomas, P. A.; Corker, D. L.
Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry
Acta Crystallographica Section B
54(5)
(1998)
635-644 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,002,913 | 13.442 | 0.005 | 6.816 | 0.002 | 10.735 | 0.002 | 90 | null | 90 | null | 90 | null | 983.5 | 0.5 | 120 | null | 120 | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Cs(0.86)Rb(0.14)TiOAsO4 | - As2 Cs1.72 O10 Rb0.28 Ti2 - | - As2 Cs1.719 O10 Rb0.281 Ti2 - | - As8 Cs6.876 O40 Rb1.124 Ti8 - | 4 | 1 | AN0545 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. | Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry | Acta Crystallographica Section B | 1,998 | 54 | 5 | 635 | 644 | 10.1107/S0108768198002985 | 0.71073 | MoKα | null | 0.0197 | null | null | 0.0303 | null | null | null | null | 1.7631 | 1.7631 | null | null | null | has coordinates | Womersley, M. N.; Thomas, P. A.; Corker, D. L.
Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry
Acta Crystallographica Section B
54(5)
(1998)
635-644 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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4,322,451 | 18.905 | 0.004 | 13.732 | 0.003 | 17.101 | 0.003 | 90 | null | 110.29 | 0.03 | 90 | null | 4,164 | 1.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C28 H40 F18 Mo N2 S6 - | - C28 H40 F18 Mo N2 S6 - | - C112 H160 F72 Mo4 N8 S24 - | 4 | 0.5 | Kun Wang; Jonathan M. McConnachie; Edward I. Stiefel | Syntheses of Metal Dithiolene Complexes from Thiometalates by Induced Internal Redox Reactions | Inorganic Chemistry | 1,999 | 38 | 4334 | 4341 | 10.1021/ic990204k | 0.71073 | MoKα | 0.0688 | 0.0454 | null | 0.1256 | 0.1098 | null | null | null | 1.092 | 1.125 | 1.125 | null | null | null | has coordinates,has disorder | Kun Wang; Jonathan M. McConnachie; Edward I. Stiefel
Syntheses of Metal Dithiolene Complexes from Thiometalates by Induced Internal Redox Reactions
Inorganic Chemistry
38
(1999)
4334-4341 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179327 $
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2,002,914 | 13.466 | 0.003 | 6.837 | 0.0008 | 10.704 | 0.002 | 90 | null | 90 | null | 90 | null | 985.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Cs(0.9)Rb(0.1)TiOAsO4 | - As2 Cs1.8 O10 Rb0.16 Ti2 - | - As2 Cs1.8025 O10 Rb0.15 Ti2 - | - As8 Cs7.21 O40 Rb0.6 Ti8 - | 4 | 1 | AN0546 | Thomas, P. A.; Womersley, M. N. | Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. II. The Problems of Interpretation of Residual Electron Densities in a Polar Space Group | Acta Crystallographica Section B | 1,998 | 54 | 5 | 645 | 651 | 10.1107/S0108768198002997 | 0.71073 | MoKα | 0.0306 | 0.0279 | null | 0.0591 | 0.0579 | null | null | null | 1.123 | 1.128 | 1.128 | null | null | null | has coordinates | Thomas, P. A.; Womersley, M. N.
Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. II. The Problems of Interpretation of Residual Electron Densities in a Polar Space Group
Acta Crystallographica Section B
54(5)
(1998)
645-651 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,915 | 7.235 | 0.002 | 13.056 | 0.004 | 14.415 | 0.004 | 90 | null | 90 | null | 90 | null | 1,361.6 | 0.7 | 110 | 2 | 110 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | N-Acetyl-L-tyrosine Ethyl Ester Monohydrate | - C13 H19 N O5 - | - C13 H19 N O5 - | - C52 H76 N4 O20 - | 4 | 1 | AN0551 | Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte | Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data | Acta Crystallographica Section B | 1,999 | 55 | 2 | 226 | 230 | 10.1107/S0108768198012099 | 0.71073 | MoKα | null | 0.0272 | null | null | 0.0202 | null | null | null | null | 0.65 | 0.65 | null | null | null | has coordinates,has Fobs | Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte
Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data
Acta Crystallographica Section B
55(2)
(1999)
226-230 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,916 | 7.3827 | 0.0002 | 13.1421 | 0.0004 | 14.515 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,408.31 | 0.07 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | N-Acetyl-L-tyrosine Ethyl Ester Monohydrate | - C13 H19 N O5 - | - C13 H19 N O5 - | - C52 H76 N4 O20 - | 4 | 1 | AN0551 | Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte | Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data | Acta Crystallographica Section B | 1,999 | 55 | 2 | 226 | 230 | 10.1107/S0108768198012099 | 0.71073 | MoKα | 0.0526 | 0.0382 | null | 0.0997 | 0.0874 | null | null | null | 1.103 | 1.084 | 1.084 | null | null | null | has coordinates,has Fobs | Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte
Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data
Acta Crystallographica Section B
55(2)
(1999)
226-230 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,917 | 7.4889 | 0.0008 | 17.273 | 0.002 | 7.4073 | 0.0008 | 90 | 0.0001 | 111.937 | 0.006 | 90 | 0.0001 | 888.8 | 0.2 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | [1-(2-aminoethyl)-1,2-dihydroimidazolidene-2]nitroacetonitrile | - C7 H11 N5 O2 - | - C7 H11 N5 O2 - | - C28 H44 N20 O8 - | 4 | 1 | AN0555 | Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A. | Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimidin-7-one monohydrate (C~6~H~6~N~6~O~4~·H~2~O) from X-ray, synchrotron and neutron powder diffraction data | Acta Crystallographica Section B | 1,999 | 55 | 4 | 554 | 562 | 10.1107/S010876819900213X | 0.85617 | synchrotron | null | null | null | null | null | null | null | null | 1.45 | null | null | null | null | null | has coordinates | Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A.
Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimid... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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4,322,450 | 8.873 | 0.002 | 17.394 | 0.006 | 21.778 | 0.003 | 90 | null | 90 | null | 90 | null | 3,361.2 | 1.5 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C24 H28 Cl8 Nb2 P4 - | - C24 H28 Cl8 Nb2 P4 - | - C96 H112 Cl32 Nb8 P16 - | 4 | 0.5 | Joseph T. Scheper; Kumudini C. Jayaratne; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold; Charles H. Winter | Synthesis, Structure, and Chemical Vapor Deposition Studies of Molecular Precursors to NbP Films | Inorganic Chemistry | 1,999 | 38 | 4354 | 4360 | 10.1021/ic990198s | 0.71073 | MoKα | 0.0441 | 0.0284 | null | 0.0621 | 0.0602 | null | null | null | 0.835 | 0.989 | 0.989 | null | null | null | has coordinates | Joseph T. Scheper; Kumudini C. Jayaratne; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold; Charles H. Winter
Synthesis, Structure, and Chemical Vapor Deposition Studies of Molecular Precursors to NbP Films
Inorganic Chemistry
38
(1999)
4354-4360 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,918 | 17.576 | 0.003 | 10.9 | 0.002 | 4.6738 | 0.0006 | 90 | 0.0001 | 92.867 | 0.008 | 90 | 0.0001 | 894.3 | 0.3 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3,7-diamino-4-nitro-6-hydroxy-8-oxopyrazolo[1,5-a]pyrimidine monohydrate | - C6 H8 N6 O5 - | - C6 H8 N6 O5 - | - C24 H32 N24 O20 - | 4 | 1 | AN0555 | Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A. | Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimidin-7-one monohydrate (C~6~H~6~N~6~O~4~·H~2~O) from X-ray, synchrotron and neutron powder diffraction data | Acta Crystallographica Section B | 1,999 | 55 | 4 | 554 | 562 | 10.1107/S010876819900213X | 0.95044 | synchrotron | null | null | null | null | null | null | null | null | 1.75 | null | null | null | null | null | has coordinates | Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A.
Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimid... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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4,322,449 | 12.37 | 0.0002 | 24.23 | 0.0002 | 45.186 | 0.0006 | 90 | null | 92.492 | 0.001 | 90 | null | 13,530.6 | 0.3 | 200.2 | null | 200.2 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C67.5 H65 Cl5 P6 Pd2 - | - C67.375 H64 Cl4.75 P6 Pd2 - | - C539 H512 Cl38 P48 Pd16 - | 8 | 2 | Tsutomu Mizuta; Shizuka Aoki; Koji Nakayama; Katsuhiko Miyoshi | A Sterically Enforced Bent Form of an Edge-Sharing Dipalladium(II) Complex Attained by a Linked-Bisphosphido Bridge | Inorganic Chemistry | 1,999 | 38 | 4361 | 4364 | 10.1021/ic990032r | 0.7107 | MoKα | null | 0.0642 | null | null | 0.0681 | null | null | null | null | 0.373 | 0.373 | null | null | null | has coordinates | Tsutomu Mizuta; Shizuka Aoki; Koji Nakayama; Katsuhiko Miyoshi
A Sterically Enforced Bent Form of an Edge-Sharing Dipalladium(II) Complex Attained by a Linked-Bisphosphido Bridge
Inorganic Chemistry
38
(1999)
4361-4364 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,919 | 18.281 | 0.0018 | 5.379 | 0.0005 | 8.155 | 0.0008 | 90 | null | 91.25 | 0.009 | 90 | null | 801.72 | 0.13 | 295 | null | 295 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | p-phenylenediamine.2 phenol | (1,4-diaminobenzene).2(hydroxybenzene) | - C18 H20 N2 O2 - | - C18 H20 N2 O2 - | - C36 H40 N4 O4 - | 2 | 0.5 | BK0047 | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. | Supramolecular Alcohol–Amine Crystals and Their Hydrogen-Bond Patterns | Acta Crystallographica Section B | 1,998 | 54 | 5 | 695 | 704 | 10.1107/S0108768198003231 | 0.71073 | MoKα | 0.132 | 0.04 | null | 0.138 | 0.091 | null | null | null | 1.059 | 1.118 | 1.118 | null | null | null | has coordinates | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H.
Supramolecular Alcohol–Amine Crystals and Their Hydrogen-Bond Patterns
Acta Crystallographica Section B
54(5)
(1998)
695-704 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,920 | 26.629 | 0.005 | 5.426 | 0.001 | 8.095 | 0.002 | 90 | null | 95.15 | 0.02 | 90 | null | 1,164.9 | 0.4 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | p-phenylenediamine.2 p-phenylphenol | 1,4-diaminobenzene.2 4-phenylphenol | - C30 H28 N2 O2 - | - C30 H28 N2 O2 - | - C60 H56 N4 O4 - | 2 | 0.5 | BK0047 | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. | Supramolecular Alcohol–Amine Crystals and Their Hydrogen-Bond Patterns | Acta Crystallographica Section B | 1,998 | 54 | 5 | 695 | 704 | 10.1107/S0108768198003231 | 0.71073 | MoKα | 0.0758 | 0.0477 | null | 0.1382 | 0.1197 | null | null | null | 1.03 | 1.102 | 1.102 | null | null | null | has coordinates | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H.
Supramolecular Alcohol–Amine Crystals and Their Hydrogen-Bond Patterns
Acta Crystallographica Section B
54(5)
(1998)
695-704 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,921 | 14.94 | 0.002 | 5.4816 | 0.0005 | 8.372 | 0.001 | 90 | null | 90.25 | 0.01 | 90 | null | 685.62 | 0.14 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | p-phenylenediamine.2,6-dihydroxynaphthalene | (1,4-diaminobenzene).(2,6-dihydroxynaphthalene) | - C16 H16 N2 O2 - | - C16 H16 N2 O2 - | - C32 H32 N4 O4 - | 2 | 0.5 | BK0047 | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. | Supramolecular Alcohol–Amine Crystals and Their Hydrogen-Bond Patterns | Acta Crystallographica Section B | 1,998 | 54 | 5 | 695 | 704 | 10.1107/S0108768198003231 | 0.71073 | MoKα | 0.0997 | 0.0495 | null | 0.1125 | 0.0922 | null | null | null | 1.05 | 1.129 | 1.129 | null | null | null | has coordinates | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H.
Supramolecular Alcohol–Amine Crystals and Their Hydrogen-Bond Patterns
Acta Crystallographica Section B
54(5)
(1998)
695-704 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,922 | 31.2595 | 0.0011 | 5.1534 | 0.0002 | 8.2639 | 0.0005 | 90 | null | 104.189 | 0.004 | 90 | null | 1,290.64 | 0.11 | 295 | null | 295 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | p-phenylenediamine.1,6-hexanediol | (1,4-diaminobenzene).(1,6-dihydroxyhexane) | - C12 H22 N2 O2 - | - C12 H22 N2 O2 - | - C48 H88 N8 O8 - | 4 | 0.5 | BK0047 | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. | Supramolecular Alcohol–Amine Crystals and Their Hydrogen-Bond Patterns | Acta Crystallographica Section B | 1,998 | 54 | 5 | 695 | 704 | 10.1107/S0108768198003231 | 0.71073 | MoKα | 0.06 | 0.041 | null | 0.089 | 0.072 | null | null | null | 0.845 | 0.778 | 0.778 | null | null | null | has coordinates | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H.
Supramolecular Alcohol–Amine Crystals and Their Hydrogen-Bond Patterns
Acta Crystallographica Section B
54(5)
(1998)
695-704 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,923 | 4.4878 | 0.0007 | 8.785 | 0.002 | 11.987 | 0.001 | 70 | 0.01 | 86.67 | 0.01 | 82.18 | 0.01 | 439.93 | 0.13 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1,4-phenylenediamine.2p-chlorophenol | (1,4-diaminobenzene).2(4-chloro,1-hydroxybenzene) | - C18 H18 Cl2 N2 O2 - | - C18 H18 Cl2 N2 O2 - | - C18 H18 Cl2 N2 O2 - | 1 | 0.5 | BK0047 | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. | Supramolecular Alcohol–Amine Crystals and Their Hydrogen-Bond Patterns | Acta Crystallographica Section B | 1,998 | 54 | 5 | 695 | 704 | 10.1107/S0108768198003231 | 0.71073 | MoKα | 0.0624 | 0.0401 | null | 0.1082 | 0.0952 | null | null | null | 1.04 | 1.09 | 1.09 | null | null | null | has coordinates | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H.
Supramolecular Alcohol–Amine Crystals and Their Hydrogen-Bond Patterns
Acta Crystallographica Section B
54(5)
(1998)
695-704 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,924 | 13.585 | 0.002 | 5.806 | 0.003 | 5.603 | 0.002 | 90 | null | 90 | null | 90 | null | 441.9 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C5 H5 N O - | - C20 H20 N4 O4 - | - C20 H20 N4 O4 - | 1 | 0.25 | BK0048 | Yang, H.W.; Craven, B.M. | Charge Density Study of 2-Pyridone | Acta Crystallographica Section B | 1,998 | 54 | 6 | 912 | 920 | 10.1107/S0108768198006545 | 0.71073 | MoKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Yang, H.W.; Craven, B.M.
Charge Density Study of 2-Pyridone
Acta Crystallographica Section B
54(6)
(1998)
912-920 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,925 | 7.531 | 0.003 | 5.874 | 0.002 | 10.399 | 0.004 | 90 | null | 90 | null | 90 | null | 460 | 0.3 | 200 | null | 200 | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | ammonium tetrafluoroberyllate | - Be F4 H8 N2 - | - Be F4 H8 N2 - | - Be4 F16 H32 N8 - | 4 | 0.5 | BK0051 | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. | Neutron structures of ammonium tetrafluoroberyllate | Acta Crystallographica Section B | 1,999 | 55 | 1 | 17 | 23 | 10.1107/S010876819800737X | neutron | 1.0462 | neutron | 0.0679 | 0.0679 | null | 0.0733 | 0.0733 | null | null | null | 1.0428 | 1.0428 | 1.0428 | null | null | null | has coordinates,has Fobs | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.
Neutron structures of ammonium tetrafluoroberyllate
Acta Crystallographica Section B
55(1)
(1999)
17-23 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,926 | 15.017 | 0.006 | 5.876 | 0.003 | 10.418 | 0.004 | 90 | null | 90 | null | 90 | null | 919.3 | 0.7 | 163 | null | 163 | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | ammonium tetrafluoroberyllate | - Be F4 H8 N2 - | - Be F4 H8 N2 - | - Be8 F32 H64 N16 - | 8 | 2 | BK0051 | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. | Neutron structures of ammonium tetrafluoroberyllate | Acta Crystallographica Section B | 1,999 | 55 | 1 | 17 | 23 | 10.1107/S010876819800737X | neutron | 1.0462 | neutron | 0.0476 | 0.0476 | null | 0.0552 | 0.0552 | null | null | null | 1.065 | 1.065 | 1.065 | null | null | null | has coordinates,has Fobs | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.
Neutron structures of ammonium tetrafluoroberyllate
Acta Crystallographica Section B
55(1)
(1999)
17-23 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,927 | 14.997 | 0.005 | 5.86 | 0.003 | 10.402 | 0.004 | 90 | null | 90 | null | 90 | null | 914.2 | 0.7 | 20 | null | 20 | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | ammonium tetrafluoroberyllate | - Be F4 H8 N2 - | - Be F4 H8 N2 - | - Be8 F32 H64 N16 - | 8 | 2 | BK0051 | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. | Neutron structures of ammonium tetrafluoroberyllate | Acta Crystallographica Section B | 1,999 | 55 | 1 | 17 | 23 | 10.1107/S010876819800737X | neutron | 1.0462 | neutron | 0.0342 | 0.0342 | null | 0.0405 | 0.0405 | null | null | null | 1.0436 | 1.0436 | 1.0436 | null | null | null | has coordinates,has Fobs | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.
Neutron structures of ammonium tetrafluoroberyllate
Acta Crystallographica Section B
55(1)
(1999)
17-23 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,928 | 7.4544 | 0.0004 | 6.0826 | 0.0006 | 20.0946 | 0.0012 | 90 | null | 90 | null | 90 | null | 911.13 | 0.12 | null | null | null | null | null | null | null | null | 2 | P b c a | -P 2ac 2ab | 61 | - C12 H12 - | - C12 H12 - | - C48 H48 - | 4 | 0.5 | BK0054 | Kaduk, J.A.; Golab, J.T. | Structures of 2,6-disubstituted naphthalenes | Acta Crystallographica Section B | 1,999 | 55 | 1 | 85 | 94 | 10.1107/S0108768198008945 | 1.5406 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kaduk, J.A.; Golab, J.T.
Structures of 2,6-disubstituted naphthalenes
Acta Crystallographica Section B
55(1)
(1999)
85-94 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,929 | 3.7061 | 0.0008 | 7.4688 | 0.0014 | 8.535 | 0.002 | 86.62 | 0.02 | 85.49 | 0.02 | 87.99 | 0.02 | 235 | 0.09 | null | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C12 H8 O4 - | - C12 H8 O4 - | - C12 H8 O4 - | 1 | 0.5 | BK0054 | Kaduk, J.A.; Golab, J.T. | Structures of 2,6-disubstituted naphthalenes | Acta Crystallographica Section B | 1,999 | 55 | 1 | 85 | 94 | 10.1107/S0108768198008945 | 1.5406 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kaduk, J.A.; Golab, J.T.
Structures of 2,6-disubstituted naphthalenes
Acta Crystallographica Section B
55(1)
(1999)
85-94 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,930 | 13.41931 | 0.00014 | 6.14869 | 0.00005 | 7.15257 | 0.00005 | 90 | null | 100.4 | 0.001 | 90 | null | 580.471 | 0.009 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H12 O4 - | - C14 H12 O4 - | - C28 H24 O8 - | 2 | 0.5 | BK0054 | Kaduk, J.A.; Golab, J.T. | Structures of 2,6-disubstituted naphthalenes | Acta Crystallographica Section B | 1,999 | 55 | 1 | 85 | 94 | 10.1107/S0108768198008945 | 1.15023 | synchrotron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kaduk, J.A.; Golab, J.T.
Structures of 2,6-disubstituted naphthalenes
Acta Crystallographica Section B
55(1)
(1999)
85-94 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,931 | 17.674 | 0.003 | 17.674 | 0.003 | 12.516 | 0.003 | 90 | null | 90 | null | 120 | null | 3,385.8 | 1.1 | null | null | null | null | null | null | null | null | 3 | P 63/m | -P 6c | null | - Al177 Cr49 Ni - | - Al182 Cr52 Ni4 - | - Al182 Cr52 Ni4 - | 1 | 0.083333 | BK0060 | Marsh, R. E. | Concerning the κ Phase of Al‒Cr‒Ni | Acta Crystallographica Section B | 1,998 | 54 | 6 | 925 | 926 | 10.1107/S0108768198007393 | 0.71073 | MoKα | null | 0.041 | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Marsh, R. E.
Concerning the κ Phase of Al‒Cr‒Ni
Acta Crystallographica Section B
54(6)
(1998)
925-926 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,932 | 11.397 | 0.002 | 8.871 | 0.002 | 7.222 | 0.004 | 90 | null | 95.12 | 0.03 | 90 | null | 727.3 | 0.5 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 5,6-dichlorobenzfurazan-1-oxide | - C6 H2 Cl2 N2 O2 - | - C6 H2 Cl2 N2 O2 - | - C24 H8 Cl8 N8 O8 - | 4 | 0.5 | BK0061 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. | Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide | Acta Crystallographica Section B | 1,999 | 55 | 4 | 530 | 542 | 10.1107/S0108768199000348 | 0.71073 | MoKα | 0.034 | 0.029 | null | 0.076 | 0.073 | null | null | null | 1.127 | 1.144 | 1.144 | null | null | null | has coordinates,has Fobs | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B
55(4... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,448 | 22.196 | 0.0004 | 22.551 | 0.0004 | 11.394 | 0.0001 | 90 | null | 90 | null | 90 | null | 5,703.18 | 0.15 | 200.2 | null | 200.2 | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | - C57 H60 Cl4 P6 Pd2 - | - C57 H60 Cl4 P6 Pd2 - | - C228 H240 Cl16 P24 Pd8 - | 4 | 1 | Tsutomu Mizuta; Shizuka Aoki; Koji Nakayama; Katsuhiko Miyoshi | A Sterically Enforced Bent Form of an Edge-Sharing Dipalladium(II) Complex Attained by a Linked-Bisphosphido Bridge | Inorganic Chemistry | 1,999 | 38 | 4361 | 4364 | 10.1021/ic990032r | 0.7107 | MoKα | null | 0.0343 | null | null | 0.0392 | null | null | null | null | 3.964 | 3.964 | null | null | null | has coordinates,has disorder | Tsutomu Mizuta; Shizuka Aoki; Koji Nakayama; Katsuhiko Miyoshi
A Sterically Enforced Bent Form of an Edge-Sharing Dipalladium(II) Complex Attained by a Linked-Bisphosphido Bridge
Inorganic Chemistry
38
(1999)
4361-4364 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
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2,002,933 | 11.554 | 0.002 | 8.926 | 0.002 | 7.31 | 0.006 | 90 | null | 96.1 | 0.04 | 90 | null | 749.6 | 0.7 | 297 | 2 | 297 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 5,6-dichlorobenzfurazan-1-oxide | - C6 H2 Cl2 N2 O2 - | - C6 H2 Cl2 N2 O2 - | - C24 H8 Cl8 N8 O8 - | 4 | 0.5 | BK0061 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. | Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide | Acta Crystallographica Section B | 1,999 | 55 | 4 | 530 | 542 | 10.1107/S0108768199000348 | 0.71073 | MoKα | 0.042 | 0.035 | null | 0.085 | 0.08 | null | null | null | 1.093 | 1.127 | 1.127 | null | null | null | has coordinates,has Fobs | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B
55(4... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,934 | 7.0679 | 0.0006 | 11.7502 | 0.0009 | 9.0114 | 0.0007 | 90 | null | 98.563 | 0.001 | 90 | null | 740.05 | 0.1 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 5,6-dichlorobenzfurazan-1-oxide | - C6 H2 Cl2 N2 O2 - | - C6 H2 Cl2 N2 O2 - | - C24 H8 Cl8 N8 O8 - | 4 | 1 | BK0061 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. | Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide | Acta Crystallographica Section B | 1,999 | 55 | 4 | 530 | 542 | 10.1107/S0108768199000348 | 0.71073 | MoKα | 0.043 | 0.038 | null | 0.11 | 0.106 | null | null | null | 1.044 | 1.093 | 1.093 | null | null | null | has coordinates,has disorder,has Fobs | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B
55(4... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,935 | 7.1739 | 0.0002 | 11.8351 | 0.0002 | 9.0639 | 0.0001 | 90 | null | 98.35 | 0.001 | 90 | null | 761.4 | 0.03 | 297 | 2 | 297 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 5,6-dichlorobenzfurazan-1.oxide | - C6 H2 Cl2 N2 O2 - | - C6 H2 Cl2 N2 O2 - | - C24 H8 Cl8 N8 O8 - | 4 | 1 | BK0061 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. | Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide | Acta Crystallographica Section B | 1,999 | 55 | 4 | 530 | 542 | 10.1107/S0108768199000348 | 0.71073 | MoKα | 0.041 | 0.036 | null | 0.107 | 0.104 | null | null | null | 1.731 | 1.844 | 1.844 | null | null | null | has coordinates,has disorder,has Fobs | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B
55(4... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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4,322,447 | 9.1567 | 0.0005 | 13.9314 | 0.0008 | 19.7196 | 0.0011 | 79.146 | 0.001 | 86.584 | 0.001 | 82.757 | 0.001 | 2,449.2 | 0.2 | 158 | 2 | 158 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C50 H70 O7 S2 V - | - C50 H70 O7 S2 V - | - C100 H140 O14 S4 V2 - | 2 | 1 | Charles R. Cornman; Katherine M. Geiser-Bush; Jeff W. Kampf | Vanadium(V) Complexes of 2,2'-Thiobis(4-methyl-6-tert-butylphenol) (H2mbp2S) and 2,2'-Sulfinylbis(4-methyl-6-tert-butylphenol) (H2mbp2SO) | Inorganic Chemistry | 1,999 | 38 | 4303 | 4308 | 10.1021/ic9900253 | 0.71073 | MoKα | 0.2769 | 0.1448 | null | 0.3687 | 0.3081 | null | null | null | 1.068 | 1.385 | 1.385 | null | null | null | has coordinates | Charles R. Cornman; Katherine M. Geiser-Bush; Jeff W. Kampf
Vanadium(V) Complexes of 2,2'-Thiobis(4-methyl-6-tert-butylphenol) (H2mbp2S) and 2,2'-Sulfinylbis(4-methyl-6-tert-butylphenol) (H2mbp2SO)
Inorganic Chemistry
38
(1999)
4303-4308 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,936 | 7.2233 | 0.0001 | 9.0549 | 0.0003 | 11.57 | 0.0004 | 90 | null | 95.315 | 0.002 | 90 | null | 753.5 | 0.04 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 5,6-dichlorobenzfurazan-1-oxide | - C6 H2 Cl2 N2 O2 - | - C6 H2 Cl2 N2 O2 - | - C24 H8 Cl8 N8 O8 - | 4 | 0.5 | BK0061 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. | Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide | Acta Crystallographica Section B | 1,999 | 55 | 4 | 530 | 542 | 10.1107/S0108768199000348 | 0.71073 | MoKα | 0.03 | 0.027 | null | 0.073 | 0.071 | null | null | null | 1.116 | 1.151 | 1.151 | null | null | null | has coordinates,has Fobs | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B
55(4... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,937 | 7.293 | 0.005 | 9.061 | 0.006 | 11.618 | 0.002 | 90 | null | 96.12 | 0.03 | 90 | null | 763.4 | 0.7 | 297 | 2 | 297 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 5,6-dichlorobenzfurazan-1-oxide' | - C6 H2 Cl2 N2 O2 - | - C6 H2 Cl2 N2 O2 - | - C24 H8 Cl8 N8 O8 - | 4 | 0.5 | BK0061 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. | Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide | Acta Crystallographica Section B | 1,999 | 55 | 4 | 530 | 542 | 10.1107/S0108768199000348 | 0.71073 | MoKα | 0.069 | 0.038 | null | 0.136 | 0.099 | null | null | null | 0.825 | 0.806 | 0.806 | null | null | null | has coordinates,has Fobs | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B
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2,002,938 | 11.987 | 0.004 | 8.994 | 0.003 | 7.423 | 0.004 | 90 | null | 92.91 | 0.04 | 90 | null | 799.2 | 0.6 | 297 | 2 | 297 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 4,5-dichlorophthalic anhydride | - C8 H2 Cl2 O3 - | - C8 H2 Cl2 O3 - | - C32 H8 Cl8 O12 - | 4 | 0.5 | BK0061 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. | Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide | Acta Crystallographica Section B | 1,999 | 55 | 4 | 530 | 542 | 10.1107/S0108768199000348 | 0.71073 | MoKα | 0.033 | 0.029 | null | 0.085 | 0.082 | null | null | null | 1.063 | 1.088 | 1.088 | null | null | null | has coordinates,has Fobs | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B
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4,322,446 | 13.2894 | 0.0002 | 12.9652 | 0.0002 | 16.3639 | 0.0002 | 90 | null | 102.43 | 0.001 | 90 | null | 2,753.41 | 0.07 | 158 | 2 | 158 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C26 H35 N2 O4 S V - | - C26 H35 N2 O4 S V - | - C104 H140 N8 O16 S4 V4 - | 4 | 1 | Charles R. Cornman; Katherine M. Geiser-Bush; Jeff W. Kampf | Vanadium(V) Complexes of 2,2'-Thiobis(4-methyl-6-tert-butylphenol) (H2mbp2S) and 2,2'-Sulfinylbis(4-methyl-6-tert-butylphenol) (H2mbp2SO) | Inorganic Chemistry | 1,999 | 38 | 4303 | 4308 | 10.1021/ic9900253 | 0.71073 | MoKα | 0.0811 | 0.0536 | null | 0.1105 | 0.0996 | null | null | null | 1.1 | 1.161 | 1.161 | null | null | null | has coordinates | Charles R. Cornman; Katherine M. Geiser-Bush; Jeff W. Kampf
Vanadium(V) Complexes of 2,2'-Thiobis(4-methyl-6-tert-butylphenol) (H2mbp2S) and 2,2'-Sulfinylbis(4-methyl-6-tert-butylphenol) (H2mbp2SO)
Inorganic Chemistry
38
(1999)
4303-4308 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,939 | 12.923 | 0.003 | 9.209 | 0.002 | 7.628 | 0.0015 | 105.08 | 0.03 | 99.2 | 0.03 | 81.29 | 0.03 | 859.5 | 0.4 | 297 | 2 | 297 | 2 | null | null | null | null | 4 | C -1 | -P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z) | 2 | 4,5-dibromophthalic anhydride | - C8 H2 Br2 O3 - | - C8 H2 Br2 O3 - | - C32 H8 Br8 O12 - | 4 | null | BK0061 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. | Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide | Acta Crystallographica Section B | 1,999 | 55 | 4 | 530 | 542 | 10.1107/S0108768199000348 | 0.71073 | MoKα | 0.099 | 0.05 | null | 0.139 | 0.117 | null | null | null | 1.028 | 1.12 | 1.12 | null | null | null | has coordinates | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B
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2,002,940 | 10.76 | 0.001 | 7.74 | 0.001 | 27.145 | 0.003 | 90 | null | 90 | null | 90 | null | 2,260.7 | 0.4 | 293 | null | 293 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | Potassium 3-benzoylthiophene-2-carboxylate | - C12 H7 K O3 S - | - C12 H7 K O3 S - | - C96 H56 K8 O24 S8 - | 8 | 1 | BK0064 | Craven, B. M.; Ballas, F. L. | Thermal vibrations in potassium 3-benzoyl-2-thiophenecarboxylate | Acta Crystallographica Section B | 1,999 | 55 | 3 | 375 | 379 | 10.1107/S0108768198012907 | 1.5418 | CuKα | 0.034 | 0.032 | null | 0.037 | 0.036 | null | null | null | 2.486 | 2.561 | 2.561 | null | null | null | has coordinates | Craven, B. M.; Ballas, F. L.
Thermal vibrations in potassium 3-benzoyl-2-thiophenecarboxylate
Acta Crystallographica Section B
55(3)
(1999)
375-379 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/29/2002940.cif $
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