Crystallography Open Database

Information card for entry 7040266

Preview

Coordinates	7040266.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(8,12,13,17-tetraethyl-7,18-dimethyl-21-carbabenzo(b)porphyrinato)- dipyridyl-rhodium(iii) chloroform solvate
Formula	C46 H45 Cl3 N5 Rh
Calculated formula	C46 H45 Cl3 N5 Rh
SMILES	[Rh]123(c4c5c6ccccc6c4=Cc4n1c(c(c4C)CC)C=c1[n]2c(C=c2n3c(=C5)c(c2CC)C)c(c1CC)CC)([n]1ccccc1)[n]1ccccc1.C(Cl)(Cl)Cl
Title of publication	Rhodium(i), rhodium(iii) and iridium(iii) carbaporphyrins.
Authors of publication	Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	35
Pages of publication	13691 - 13694
a	26.5254 ± 0.0013 Å
b	15.784 ± 0.0008 Å
c	23.0842 ± 0.0012 Å
α	90°
β	123.49 ± 0.003°
γ	90°
Cell volume	8060.3 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
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
186373 (current)	2016-09-10	cif/ Updating files of 7040265, 7040266, 7040267 Original log message: Adding full bibliography for 7040265--7040267.cif.	7040266.cif
185739	2016-08-11	cif/ Adding structures of 7040265, 7040266, 7040267 via cif-deposit CGI script.	7040266.cif