Crystallography Open Database

Information card for entry 7028884

Preview

Coordinates	7028884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 B Fe N2
Calculated formula	C29 H33 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	17.2196 ± 0.0006 Å
b	13.2314 ± 0.0004 Å
c	21.5639 ± 0.0007 Å
α	90°
β	95.074 ± 0.004°
γ	90°
Cell volume	4893.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	7028884.cif
105454	2014-03-12	cif/ Adding structures of 7028882, 7028883, 7028884 via cif-deposit CGI script.	7028884.cif