Crystallography Open Database

Information card for entry 4086499

Preview

Coordinates	4086499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H43 N4 Rh
Calculated formula	C56 H43 N4 Rh
SMILES	[Rh]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccc(cc1)C)cc2)c1ccc(cc1)C)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C)/C=C/c1ccccc1
Title of publication	Base-Promoted Vinyl Carbon‒Bromine Bond Cleavage by Group 9 Metalloporphyrin Complexes
Authors of publication	Wong, Ka Lai; Chen, Chen; Chan, Kin Shing
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1847
a	13.2652 ± 0.0006 Å
b	13.7595 ± 0.0006 Å
c	14.0517 ± 0.0006 Å
α	92.399 ± 0.002°
β	111.005 ± 0.002°
γ	100.969 ± 0.002°
Cell volume	2333.57 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1151
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.2261
Weighted residual factors for all reflections included in the refinement	0.2625
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
183600 (current)	2016-06-17	cif/ Updating files of 4086499 Original log message: Adding full bibliography for 4086499.cif.	4086499.cif
183017	2016-05-19	cif/ Adding structures of 4086499 via cif-deposit CGI script.	4086499.cif