Crystallography Open Database

Information card for entry 4082077

4082076 << 4082077 >> 4082078

Preview

Coordinates	4082077.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	brad08
Formula	C73 H85 B Cl Fe N O2 P Rh S
Calculated formula	C67 H71 B Cl Fe N O2 P Rh S
Title of publication	Bridging Rhodium‒Iron Borataaminocarbyne Complexes Formed by Intramolecular Isonitrile‒Borane Coordination
Authors of publication	Cowie, Bradley E.; Emslie, David J. H.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7297
a	17.776 ± 0.002 Å
b	17.235 ± 0.002 Å
c	21.196 ± 0.003 Å
α	90°
β	99.332 ± 0.003°
γ	90°
Cell volume	6407.9 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	10
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	0.0668
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178709 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/20.	4082077.cif
92156	2014-01-12	cif/ Adding structures of 4082077, 4082078, 4082079, 4082080, 4082081 via cif-deposit CGI script.	4082077.cif