Crystallography Open Database

Information card for entry 4324673

Preview

Coordinates	4324673.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	complex3
Formula	C49 H55.3 B F4.7 O P2 Rh
Calculated formula	C49 H55.288 B F4.712 O P2 Rh
Title of publication	Study of the Conformationally Flexible, Wide Bite-Angle Diphosphine 4,6-Bis(3-diisopropylphosphinophenyl)dibenzofuran in Rhodium(I) and Palladium(II) Coordination Complexes
Authors of publication	Keying Ding; Deanna L. Miller; Victor G. Young; Connie C. Lu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2545 - 2552
a	12.888 ± 0.0014 Å
b	13.1496 ± 0.0014 Å
c	14.7016 ± 0.0016 Å
α	103.481 ± 0.002°
β	108.628 ± 0.002°
γ	104.214 ± 0.002°
Cell volume	2153 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4324673.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324673.cif
42890	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4324673 via cif-deposit CGI script.	4324673.cif