Crystallography Open Database

Information card for entry 7715499

Preview

Coordinates	7715499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H104 B8 F32 Fe4 N88
Calculated formula	C84 H104 B8 F32 Fe4 N88
Title of publication	Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.
Authors of publication	Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	16
Pages of publication	7163 - 7174
a	18.9389 ± 0.0004 Å
b	19.4264 ± 0.0003 Å
c	19.5685 ± 0.0003 Å
α	90.046 ± 0.001°
β	104.76 ± 0.002°
γ	103.591 ± 0.002°
Cell volume	6752.9 ± 0.2 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0954
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
291621 (current)	2024-05-05	cif/ Updating files of 7715495, 7715496, 7715497, 7715498, 7715499, 7715500, 7715501, 7715502 Original log message: Adding full bibliography for 7715495--7715502.cif.	7715499.cif
290592	2024-03-22	cif/ Adding structures of 7715495, 7715496, 7715497, 7715498, 7715499, 7715500, 7715501, 7715502 via cif-deposit CGI script.	7715499.cif