Crystallography Open Database

Information card for entry 7217629

Preview

Coordinates	7217629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 Fe N O6
Calculated formula	C7 H7 Fe N O6
Title of publication	An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors
Authors of publication	Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	39
Pages of publication	9208
a	10.996 ± 0.004 Å
b	10.359 ± 0.004 Å
c	7.723 ± 0.003 Å
α	90°
β	102.018 ± 0.006°
γ	90°
Cell volume	860.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0459
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180507 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/76.	7217629.cif
124688	2014-10-06	cif/ Updating files of 7217628, 7217629, 7217630, 7217631, 7217632, 7217633 Original log message: Adding full bibliography for 7217628--7217633.cif.	7217629.cif
121633	2014-08-08	cif/ Adding structures of 7217628, 7217629, 7217630, 7217631, 7217632, 7217633 via cif-deposit CGI script.	7217629.cif