Crystallography Open Database

Information card for entry 7048310

Preview

Coordinates	7048310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H72 N6 Na2 O79 Re2 Te2 W20
Calculated formula	C30 H72 N6 Na2 O79 Re2 Te2 W20
SMILES	C[N+](C)(C)C.C[N+](C)(C)C.[N+](C)(C)(C)C.O=[W]123O[W]4567=[O][Re]8([O]=[W]9%10%11(O[W]%12%13%14(=O)O[W]%15%16(O[W]%17%18(O[W]%19%20(O[W]%21([O]%22%19[Te]%19O[W]%23%24(O[W](=O)(O[W](O9)(=O)(O%15)([O]%10%13%19)O%14)(O[W]9%10(O2)([O]2%13[Te](O6)[O]6%14[W]%15%19(O[W](=O)(O5)(O[W]%22(O%17)(=O)(O%21)O%20)(O%23)=O)(O[W]5%176(O[W]%14(O[W](=O)(O4)(O1)O%15)(=O)(O[W]%13(O[W]2(=O)(=[O][Re]([O]=5)(C#[O])(C#[O])(C#[O])[O]=%24)(O9)O%17)(O3)(=O)O%10)O%19)=O)=O)=O)(O7)=O)(O%18)O%16)(=O)(O8)O%11)(=O)O%12)=O)=O)=O)(C#[O])(C#[O])C#[O].[Na+].O.O.C[N+](C)(C)C.C[N+](C)(C)C.[N+](C)(C)(C)C.O.[Na+]
Title of publication	Synthesis, characterization and catalytic epoxidation properties of a new tellurotungstate(iv)-supported rhenium carbonyl derivative.
Authors of publication	Lu, Jingkun; Ma, Xinyi; Wang, Ping; Feng, Junwei; Ma, Pengtao; Niu, Jingyang; Wang, Jingping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	2
Pages of publication	628 - 634
a	16.3974 ± 0.0009 Å
b	19.6444 ± 0.0011 Å
c	17.5409 ± 0.001 Å
α	90°
β	93.055 ± 0.001°
γ	90°
Cell volume	5642.2 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
224136 (current)	2019-11-07	cif/ Updating files of 7048310 Original log message: Adding full bibliography for 7048310.cif.	7048310.cif
212419	2018-12-07	cif/ Adding structures of 7048310 via cif-deposit CGI script.	7048310.cif