Crystallography Open Database

Information card for entry 1549960

Preview

Coordinates	1549960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H74 Fe2 N4 P3
Calculated formula	C54 H74 Fe2 N4 P3
Title of publication	From an Fe<sub>2</sub>P<sub>3</sub> complex to FeP nanoparticles as efficient electrocatalysts for water-splitting.
Authors of publication	Yao, Shenglai; Forstner, Viktoria; Menezes, Prashanth W.; Panda, Chakadola; Mebs, Stefan; Zolnhofer, Eva M.; Miehlich, Matthias E.; Szilvási, Tibor; Ashok Kumar, Nanjundan; Haumann, Michael; Meyer, Karsten; Grützmacher, Hansjörg; Driess, Matthias
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	45
Pages of publication	8590 - 8597
a	22.1222 ± 0.0007 Å
b	15.3352 ± 0.0005 Å
c	15.7519 ± 0.0005 Å
α	90°
β	92.864 ± 0.003°
γ	90°
Cell volume	5337.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
228844 (current)	2019-11-17	cif/ Updating files of 1549960, 1549961 Original log message: Adding full bibliography for 1549960--1549961.cif.	1549960.cif
211032	2018-09-18	cif/ Adding structures of 1549960, 1549961 via cif-deposit CGI script.	1549960.cif