Crystallography Open Database

Information card for entry 1571976

1571975 << 1571976 >> 1571977

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Coordinates	1571976.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[NEt4][Fe5(mu5-C)(CO)13(PPh3)]
Formula	C40 H36 Fe5 N O13 P
Calculated formula	C40 H36 Fe5 N O13 P
Title of publication	Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.
Authors of publication	Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	29
Pages of publication	11455 - 11471
a	17.1733 ± 0.0003 Å
b	12.1213 ± 0.0002 Å
c	20.6329 ± 0.0003 Å
α	90°
β	103.279 ± 0.0016°
γ	90°
Cell volume	4180.16 ± 0.12 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293740 (current)	2024-08-05	cif/ Updating files of 1571968, 1571969, 1571970, 1571971, 1571972, 1571973, 1571974, 1571975, 1571976 Original log message: Adding full bibliography for 1571968--1571976.cif.	1571976.cif
292547	2024-06-25	cif/ Adding structures of 1571968, 1571969, 1571970, 1571971, 1571972, 1571973, 1571974, 1571975, 1571976 via cif-deposit CGI script.	1571976.cif