Crystallography Open Database

Information card for entry 4071544

Preview

Coordinates	4071544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H33.5 Cl5 N3 O2 Rh
Calculated formula	C26.75 H31 Cl5.5 N3 O2 Rh
Title of publication	Amine-Assisted C−Cl Bond Activation of Aryl Chlorides by a (Phebox)Rh-Chloro Complex
Authors of publication	Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	3312
a	13.364 ± 0.004 Å
b	15.834 ± 0.005 Å
c	16.154 ± 0.005 Å
α	105.268 ± 0.007°
β	97.952 ± 0.006°
γ	90.103 ± 0.007°
Cell volume	3263.3 ± 1.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.1251
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1737
Weighted residual factors for all reflections included in the refinement	0.2041
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4071544.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071544.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071544.cif
43907	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071544 via cif-deposit CGI script.	4071544.cif