Crystallography Open Database

Information card for entry 7222397

Preview

Coordinates	7222397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H78.5 B2 Co Fe2 N6 O2
Calculated formula	C102.25 H78.5 B2 Co Fe1.9995 N6 O2.25
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	21.9124 ± 0.0004 Å
b	28.8956 ± 0.0005 Å
c	26.8085 ± 0.0005 Å
α	90°
β	108.904 ± 0.0007°
γ	90°
Cell volume	16058.8 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	7
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	0.1031
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2126
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	7222397.cif
159533	2015-10-02	cif/ Adding structures of 7222397, 7222398 via cif-deposit CGI script.	7222397.cif