Crystallography Open Database

Information card for entry 1562701

Preview

Coordinates	1562701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H47 Mo12 N11 O46 Si
Calculated formula	C25 H47 Mo12 N11 O46 Si
SMILES	c1c(ccc[nH+]1)N.c1c(ccc[nH+]1)N.Nc1cc(N)cnc1.O1[Mo]234(O[Mo]567(O[Mo]891([O]1%10[Mo]%11%12(O8)(O[Mo]81(O9)(O[Mo]19(O[Mo]%13%14(O2)([O]31[Si]1%10[O]27[Mo]3(O[Mo]7%10(O%14)([O]%141[Mo](O7)(O[Mo]%14(O%11)(O%10)(O[Mo]2(O%12)(O5)(O3)=O)=O)(O8)(O9)=O)=O)(O%13)(O6)=O)=O)(O4)=O)=O)=O)=O)=O)=O.O.O.O.c1c(ccc[nH+]1)N.c1c(ccc[nH+]1)N.O.O.O
Title of publication	Crystal structure and catalytic properties of three inorganic–organic hybrid constructed from heteropolymolybdate and aminopyridine
Authors of publication	Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru; Cai, Tiejun
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	200
Pages of publication	60 - 69
a	14.3504 ± 0.0002 Å
b	14.3504 ± 0.0002 Å
c	29.0183 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5975.85 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277994 (current)	2022-09-20	cif/1: Fixing Z values and formulae --Esta linea y las que estan cidebajo seran ignoradas-- M 1/50/17/1501756.cif M 1/55/00/1550096.cif M 1/55/00/1550097.cif M 1/55/10/1551036.cif M 1/55/10/1551093.cif M 1/55/11/1551166.cif M 1/55/12/1551258.cif M 1/55/14/1551470.cif M 1/55/17/1551763.cif M 1/55/18/1551829.cif M 1/55/18/1551858.cif M 1/55/26/1552627.cif M 1/55/29/1552921.cif M 1/55/29/1552935.cif M 1/55/34/1553467.cif M 1/55/36/1553602.cif M 1/55/40/1554076.cif M 1/55/45/1554520.cif M 1/55/46/1554608.cif M 1/55/46/1554630.cif M 1/55/50/1555098.cif M 1/55/55/1555541.cif M 1/55/56/1555698.cif M 1/55/57/1555759.cif M 1/55/62/1556260.cif M 1/55/70/1557018.cif M 1/55/70/1557019.cif M 1/55/78/1557811.cif M 1/55/84/1558435.cif M 1/55/85/1558584.cif M 1/55/86/1558679.cif M 1/55/90/1559044.cif M 1/55/93/1559358.cif M 1/55/94/1559474.cif M 1/55/94/1559475.cif M 1/55/98/1559884.cif M 1/55/99/1559911.cif M 1/56/01/1560138.cif M 1/56/15/1561557.cif M 1/56/22/1562206.cif M 1/56/22/1562220.cif M 1/56/27/1562701.cif M 1/56/31/1563166.cif M 1/56/33/1563318.cif M 1/56/39/1563980.cif M 1/56/40/1564076.cif M 1/56/42/1564245.cif M 1/56/45/1564581.cif M 1/56/46/1564685.cif M 1/56/47/1564708.cif M 1/56/49/1564974.cif M 1/56/50/1565031.cif M 1/56/51/1565186.cif M 1/56/55/1565579.cif M 1/56/56/1565610.cif M 1/56/60/1566073.cif M 1/56/60/1566076.cif M 1/56/63/1566370.cif	1562701.cif
265360	2021-05-20	cif/ Adding structures of 1562700, 1562701, 1562702 via cif-deposit CGI script.	1562701.cif