Crystallography Open Database

Information card for entry 7049350

Preview

Coordinates	7049350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 B2 Br4 Fe N6 O6
Calculated formula	C33 H33 B2 Br4 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	14.0642 ± 0.0006 Å
b	17.8345 ± 0.0008 Å
c	16.96 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4254 ± 0.3 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1377
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1659
Weighted residual factors for all reflections included in the refinement	0.2005
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7049350.cif
214179	2019-03-19	cif/ Adding structures of 7049348, 7049349, 7049350 via cif-deposit CGI script.	7049350.cif