Crystallography Open Database

Information card for entry 7222398

Preview

Coordinates	7222398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H94 Co2 F36 Fe4 N12 O4.5 P6
Calculated formula	C109 H94 Co2 F36 Fe4 N12 O4.5 P6
Title of publication	Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates
Authors of publication	Bovill, Sally M.; Saines, Paul J.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	43
Pages of publication	8319
a	12.6886 Å
b	13.1123 Å
c	19.4242 Å
α	81.413°
β	75.481°
γ	71.412°
Cell volume	2956.84 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1921
Residual factor for significantly intense reflections	0.0979
Weighted residual factors for significantly intense reflections	0.2596
Weighted residual factors for all reflections included in the refinement	0.3503
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171056 (current)	2015-12-09	cif/ Updating files of 7222397, 7222398 Original log message: Adding full bibliography for 7222397--7222398.cif.	7222398.cif
159533	2015-10-02	cif/ Adding structures of 7222397, 7222398 via cif-deposit CGI script.	7222398.cif