Crystallography Open Database

Information card for entry 7706079

Preview

Coordinates	7706079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H58 B2 F8 Fe N24 O13
Calculated formula	C34.78 H50.28 B2 F8 Fe N24 O12.9
Title of publication	Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.
Authors of publication	Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	47
Pages of publication	17183 - 17193
a	10.63 ± 0.003 Å
b	10.971 ± 0.003 Å
c	14.235 ± 0.004 Å
α	74.796 ± 0.006°
β	71.624 ± 0.006°
γ	63.563 ± 0.006°
Cell volume	1396.1 ± 0.7 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2632
Residual factor for significantly intense reflections	0.1327
Weighted residual factors for significantly intense reflections	0.3257
Weighted residual factors for all reflections included in the refinement	0.3963
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
259985 (current)	2020-12-19	cif/ Adding structures of 7706076, 7706077, 7706078, 7706079, 7706080, 7706081, 7706082, 7706083, 7706084 via cif-deposit CGI script.	7706079.cif