Crystallography Open Database

Information card for entry 7133627

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Coordinates	7133627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 B Fe N2
Calculated formula	C19 H21 B Fe N2
Title of publication	Hybrid materials comprising ferrocene and diaminoborane moieties: linear concatenation versus macrocyclization
Authors of publication	Schneider, Johannes Stephan; Helten, Holger
Journal of publication	Chemical Communications
Year of publication	2024
a	11.157 ± 0.005 Å
b	17.255 ± 0.006 Å
c	17.651 ± 0.008 Å
α	90°
β	104.88 ± 0.03°
γ	90°
Cell volume	3284 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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