Crystallography Open Database

Information card for entry 7715500

Preview

Coordinates	7715500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 B2 F8 Fe N18
Calculated formula	C22 H36 B2 F8 Fe N18
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	8.7981 ± 0.0015 Å
b	9.9945 ± 0.0019 Å
c	11.413 ± 0.002 Å
α	109.557 ± 0.018°
β	99.3 ± 0.016°
γ	112.58 ± 0.017°
Cell volume	823.2 ± 0.3 Å³
Cell temperature	80 ± 1 K
Ambient diffraction temperature	80 ± 1 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	0.0456
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
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.	7715500.cif
290592	2024-03-22	cif/ Adding structures of 7715495, 7715496, 7715497, 7715498, 7715499, 7715500, 7715501, 7715502 via cif-deposit CGI script.	7715500.cif