Crystallography Open Database

Information card for entry 1549961

Preview

Coordinates	1549961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H244 Fe4 K2 N8 O14 P6
Calculated formula	C164 H244 Fe4 K2 N8 O14 P6
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	18.0839 ± 0.0004 Å
b	18.8962 ± 0.0003 Å
c	13.6307 ± 0.0002 Å
α	90°
β	115.729 ± 0.002°
γ	90°
Cell volume	4196.05 ± 0.15 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.219
Weighted residual factors for all reflections included in the refinement	0.2278
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1549961.cif
211032	2018-09-18	cif/ Adding structures of 1549960, 1549961 via cif-deposit CGI script.	1549961.cif