Crystallography Open Database

Information card for entry 7207750

7207749 << 7207750 >> 7207751

Preview

Coordinates	7207750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H110 As4 Cu5 N20 Na6 O168 Pr2 W44
Calculated formula	C20 H80 As4 Cu5 N20 Na6 O168 Pr2 W44
SMILES	C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C1[NH2][Cu]2([NH2]CC[NH2]2)[NH2]C1.O=[W]1234O[W]567(O[W]89([O]%10%11[As]%12%13=[O]%14%15[W]%16%17%18(O[W]%19%20([O]1%12[W]1(O%20)(O[W]%12%14(O%18)(O[W]%14%15(O%17)(=[O][Pr]%15%17%18([O]=5)([O]=[W](O%19)(O6)([O]7%13)(=O)O%16)([O]=[W]%10(O%14)(=O)(O[W]%11(O1)(=O)(O%12)O8)O9)[O]=[W]156(=O)O[W]789(O[W]%10%11(O1)([O]1%12[As]%13%14=[O]5[W]5(O6)(=O)(=[O]%15)O[W]6%15(O[W]%16%19(O5)(=O)O[W]5%20(O[W]([O]%13%16)(O%19)(=O)(=[O]%17)O[W]1(=O)(=[O]%18)(O[W]%12(O%11)(O5)(=O)O[W](O7)([O]8%146)(O%15)(O%20)=O)O%10)=O)(O9)=O)=O)=O)=O)=O)(O3)=O)(O2)=O)=O)(O4)=O)=O.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[W]1234(=O)O[W]567(=O)O[W]8(O1)(=O)O[W]19%10(O[W]%11%12(O[W]%13%14(O[W]%15%16(O[W]%17%18(O2)(=O)[O]3%15[As]2(=[O]3[W]%15(O[W](O9)([O]%102)(O8)(O%17)=O)(O%18)(=[O][Pr]289([O]=%12)([O]=1)([O]=[W]3(O%15)(O%14)(O%16)=O)[O]=[W]13%10(=O)O[W]%12%14(=[O]2)(=O)O[W]2%15%16(=O)O[W]%17%18(O[W]%19%20%21([O]%22%23[W]%24%25(=O)(O[W]%22(O%21)(=O)(O%15)O[W]%15(=O)(O%16)(O1)[O]13[W](O%25)(O%15)(=O)(O%10)O[W]3(O%24)(=O)(=[O]8)O[W](O%20)(O%18)([O]3[As]%231=[O]%142%17)(=O)=[O]9)O%19)=O)(=O)O%12)=O)[O]7%11%13)(O4)=O)(O5)=O)(O6)=O)=O.O.[Na+].[Na+].O.O.O.O.O.C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.O.O.O.[Na+].O.O.[Na+].[Na+].[Na+].O
Title of publication	Four types of 1D or 2D organic–inorganic hybrids assembled by arsenotungstates and CuII–LnIII/IV heterometals
Authors of publication	Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	9
Pages of publication	3108
a	15.9375 ± 0.0015 Å
b	18.2356 ± 0.0017 Å
c	21.056 ± 0.0019 Å
α	114.312 ± 0.001°
β	90.885 ± 0.002°
γ	94.344 ± 0.002°
Cell volume	5553.5 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.111
Residual factor for significantly intense reflections	0.0813
Weighted residual factors for significantly intense reflections	0.1978
Weighted residual factors for all reflections included in the refinement	0.2123
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
287753 (current)	2023-11-23	Fixing Z values and formulae	7207750.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7207750.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207750.cif
55914	2012-05-08	cif/ Adding structures of 7207749, 7207750, 7207751, 7207752, 7207753, 7207754, 7207755, 7207756, 7207757, 7207758 via cif-deposit CGI script.	7207750.cif