Crystallography Open Database

Information card for entry 7050310

Preview

Coordinates	7050310.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	gyefebh
Formula	C86 H96 B2 Fe2 O4 P6
Calculated formula	C96.5 H84 B Fe2 P6
Title of publication	Expanding metallaborane chemistry: an octahedral BH6 moiety supported through M?H?B bridges
Authors of publication	Guilera, Gemma; Sean McGrady, G.; Steed, Jonathan W.; Kaltsoyannis, Nikolas
Journal of publication	New Journal of Chemistry
Year of publication	2004
Journal volume	28
Journal issue	4
Pages of publication	444
a	12.4208 ± 0.0009 Å
b	12.684 ± 0.0012 Å
c	14.2246 ± 0.0015 Å
α	97.844 ± 0.005°
β	115.241 ± 0.005°
γ	104.18 ± 0.005°
Cell volume	1889.7 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1704
Residual factor for significantly intense reflections	0.1341
Weighted residual factors for significantly intense reflections	0.2043
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	1.318
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7050310.html