Crystallography Open Database

Information card for entry 1548666

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Structure parameters

Chemical name	Tetraphenylphosphonium tetrakis(trimethylsilanolato)ferrate(III)
Formula	C36 H56 Fe O4 P Si4
Calculated formula	C36 H56 Fe O4 P Si4
SMILES	[Fe](O[Si](C)(C)C)(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Tetraphenylphosphonium tetrakis(trimethylsilanolato)ferrate(III)
Authors of publication	Hay, Michael T.; Yennawar, Hemant P.
Journal of publication	IUCrData
Year of publication	2018
Journal volume	3
Journal issue	1
Pages of publication	x171823
a	12.589 ± 0.007 Å
b	12.589 ± 0.007 Å
c	13.689 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2169 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	0.916
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1548666.cif 1548666.hkl
206147	2018-02-04	cif/ Updating files of 1548666 Original log message: Adding full bibliography for 1548666.cif.	1548666.cif 1548666.hkl
205174	2018-01-13	cif/ hkl/ Adding structures of 1548666 via cif-deposit CGI script.	1548666.cif 1548666.hkl