Crystallography Open Database

Information card for entry 7045634

Preview

Coordinates	7045634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101.69 H110.94 Fe2 Na O2.81 P4
Calculated formula	C101.678 H110.924 Fe2 Na O2.811 P4
Title of publication	Mono- and dinuclear tetraphosphabutadiene ferrate anions.
Authors of publication	Chakraborty, Uttam; Leitl, Julia; Mühldorf, Bernd; Bodensteiner, Michael; Pelties, Stefan; Wolf, Robert
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	11
Pages of publication	3693 - 3697
a	23.4789 ± 0.0003 Å
b	24.395 ± 0.0002 Å
c	16.5309 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9468.37 ± 0.18 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 0.1 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.2624
Weighted residual factors for all reflections included in the refinement	0.2756
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229996 (current)	2019-11-17	cif/ Updating files of 7045632, 7045633, 7045634 Original log message: Adding full bibliography for 7045632--7045634.cif.	7045634.cif
206416	2018-02-14	cif/ Adding structures of 7045632, 7045633, 7045634 via cif-deposit CGI script.	7045634.cif