Crystallography Open Database

Information card for entry 7045667

Preview

Coordinates	7045667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H39 Fe P3 Si
Calculated formula	C26 H39 Fe P3 Si
SMILES	[FeH]1([P](c2ccccc2)(c2c([Si]1(C)C)cccc2)c1ccccc1)([P](C)(C)C)[P](C)(C)C
Title of publication	Synthesis of silyl iron hydride via Si-H activation and its dual catalytic application in the hydrosilylation of carbonyl compounds and dehydration of benzamides.
Authors of publication	Ren, Shishuai; Xie, Shangqing; Zheng, Tingting; Wang, Yangyang; Xu, Shilu; Xue, Benjing; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	12
Pages of publication	4352 - 4359
a	10.5677 ± 0.0009 Å
b	17.7146 ± 0.0015 Å
c	15.1486 ± 0.0014 Å
α	90°
β	90.232 ± 0.002°
γ	90°
Cell volume	2835.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0668
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
230045 (current)	2019-11-17	cif/ Updating files of 7045667 Original log message: Adding full bibliography for 7045667.cif.	7045667.cif
206488	2018-02-18	cif/ Adding structures of 7045667 via cif-deposit CGI script.	7045667.cif