Crystallography Open Database

Information card for entry 4307570

Preview

Coordinates	4307570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 B2 F8 Fe N13 O
Calculated formula	C31 H20 B2 F8 Fe N13 O
Title of publication	Spin Crossover in a Series of Iron(II) Complexes of 2-(2-Alkyl-2H-tetrazol-5-yl)-1,10-phenanthroline: Effects of Alkyl Side Chain, Solvent, and Anion
Authors of publication	Wen Zhang; Fei Zhao; Tao Liu; Mei Yuan; Zhe-Ming Wang; Song Gao
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2541 - 2555
a	10.9217 ± 0.0003 Å
b	12.2206 ± 0.0003 Å
c	14.9706 ± 0.0007 Å
α	80.399 ± 0.001°
β	75.572 ± 0.001°
γ	67.995 ± 0.001°
Cell volume	1788.13 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.2291
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.1983
Goodness-of-fit parameter for all reflections included in the refinement	0.9
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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