Crystallography Open Database

Information card for entry 7028883

Preview

Coordinates	7028883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 B Fe N2
Calculated formula	C23 H29 B Fe N2
Title of publication	Ferrocenyl pyrazaboles: design, synthesis, structure, and properties.
Authors of publication	Misra, Rajneesh; Jadhav, Thaksen; Mobin, Shaikh M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2013 - 2022
a	13.8211 ± 0.0018 Å
b	14.6473 ± 0.0009 Å
c	11.4189 ± 0.001 Å
α	90°
β	111.981 ± 0.013°
γ	90°
Cell volume	2143.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1102
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.2878
Weighted residual factors for all reflections included in the refinement	0.2992
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
179994 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88.	7028883.cif
105454	2014-03-12	cif/ Adding structures of 7028882, 7028883, 7028884 via cif-deposit CGI script.	7028883.cif