Crystallography Open Database

Information card for entry 7201408

7201407 << 7201408 >> 7201409

Preview

Coordinates	7201408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H46 Cl2 Fe O14 S40
Calculated formula	C57 H40 Cl2 Fe O14 S40
Title of publication	Synthesis, crystal structure, and characterization of charge-transfer salt: (BEDT-TTF)5[Fe(C2O4)3]·(H2O)2·CH2Cl2 (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)
Authors of publication	Zhang, Bin; Zhang, Yan; Liu, Fen; Guo, Yanjun
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2523
a	11.148 ± 0.0001 Å
b	11.55 ± 0.0001 Å
c	35.312 ± 0.0006 Å
α	89.3682 ± 0.0004°
β	85.1561 ± 0.0005°
γ	70.333 ± 0.0007°
Cell volume	4265.49 ± 0.09 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1256
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	0.898
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7201408.html