Crystallography Open Database

Information card for entry 7049349

Preview

Coordinates	7049349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 B2 Fe N6 O6
Calculated formula	C34 H34 B2 Fe N6 O6
Title of publication	Porous networks based on iron(ii) clathrochelate complexes.
Authors of publication	Bila, José L; Pijeat, Joffrey; Ramorini, Andrea; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Baudat, Emilie; Severin, Kay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	14
Pages of publication	4582 - 4588
a	30.5087 ± 0.0008 Å
b	9.8259 ± 0.0002 Å
c	46.0071 ± 0.0017 Å
α	90°
β	97.269 ± 0.003°
γ	90°
Cell volume	13681 ± 0.7 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1281
Residual factor for significantly intense reflections	0.117
Weighted residual factors for significantly intense reflections	0.3284
Weighted residual factors for all reflections included in the refinement	0.3377
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
224288 (current)	2019-11-08	cif/ Updating files of 7049348, 7049349, 7049350 Original log message: Adding full bibliography for 7049348--7049350.cif.	7049349.cif
214179	2019-03-19	cif/ Adding structures of 7049348, 7049349, 7049350 via cif-deposit CGI script.	7049349.cif